SCHEMBL10485477

SCHEMBL10485477

NCCNc1nc(N)c(N)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
APP P05067 2/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
CXCR4 P61073 1/20 0.35
CDK1 P06493 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
BRAF P15056 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL430482 0.82 CXCR4 (0.40) CXCR4CA12CA9CA3CA4
SCHEMBL9528787 0.78 CA1 (0.40) CXCR4CA12CA9CA1CA2
SCHEMBL9528515 0.78 CA9 (0.43) CXCR4CA12CA9CA3CA4
Hydrochloric Acid SCHEMBL7860781 0.77 KMT2A (0.52) CDK1ALDH1A1RECQLCCNA2CDK2
SCHEMBL17577086 0.76 CA1 (0.39) CXCR4CA12CA9CA1CA2
SCHEMBL11219384 0.74 HRH4 (0.41) NPY1RNPY5RCXCR4BRAFPDE4A
SCHEMBL18062209 0.74 CA1 (0.41) CXCR4CA12CA9CA1CA2
SCHEMBL3265896 0.73 LMNA (0.50) CA9ALDH1A1CA1CA2
SCHEMBL21527302 0.73 CA12 (0.49) NPY1RNPY5RCXCR4NPC1MITF
SCHEMBL14621844 0.73 P2RX3 (0.37) P2RX3P2RX2CDK1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4838893-A AND TETRAAMINOPYRIDINES ASDEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-06-13 US disclosed
US-4684371-A Oxidation hair dyes comprising m-phenylenediamine derivatives as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-08-04 US disclosed
US-4552565-A Hair dyes: diresorcyl sulphide, sulphoxide or sulphone coupling agents HENKEL KGAA (DE) 1985-11-12 US disclosed
US-4371370-A Oxidation hair dyes comprising bis-(2,4-diaminophenoxy)-alkanols as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-01 US disclosed
US-4325704-A CONTAINING A DEVELOPER AND AN N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVE AS A COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-04-20 US disclosed
US-4322212-A AS COUPLERS WITH CONVENTIONAL DEVELOPERS IN AQUEOUS SOLUTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-03-30 US disclosed
US-4213758-A Oxidation hair dyes based upon tetraaminopyrimidine developers and couplers therefor HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1980-07-22 US disclosed
US-RE30199-E Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 US disclosed
US-4171203-A IN COMBINATION WITH A TETRAAMINOPYRIMIDING COUPLER SURFACTANTS AND THICKENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-10-16 US disclosed
US-4168953-A Oxidation hair dyes based upon tetraaminopyrimidine developers and monohydroxyindazole couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 US disclosed
US-4129413-A Oxidation hair dyes based upon tetraaminopyrimidine developers and mono- and dialkyl -m- dihydroxy benzene couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1978-12-12 US disclosed
US-4003699-A Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL & CIE G.M.B.H. (DT) 1977-01-18 US disclosed