SCHEMBL4378451

SCHEMBL4378451

CN1C(N)=Nc2nc(-c3c(F)cccc3N3CCSCC3)ccc2C1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMO O15229 1/20 0.32
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL3732356 0.91 PTPN1 (0.49) PTPN1HRH4KMOPIM1PIM3
SCHEMBL4382742 0.90 HRH4 (0.42) PTPN1HRH4ALDH1A1
SCHEMBL3732567 0.90 PTPN1 (0.48) PTPN1HRH4ALDH1A1KMOPIM1
SCHEMBL3732271 0.88 PTPN1 (0.41) PTPN1HRH4ALDH1A1ALOX15HSD17B10
SCHEMBL3727498 0.84 F2RL3 (0.33) PTPN1HRH4PIM1PIM3PIM2
SCHEMBL4375700 0.83 KDM4E (0.39) PTPN1ALDH1A1
SCHEMBL4384856 0.81 PTPN1 (0.39) PTPN1PIM1PIM3PIM2
SCHEMBL3734371 0.79 PDE2A (0.32) PTPN1HRH4
SCHEMBL3746931 0.78 CYP1A2 (0.33) PTPN1ALDH1A1
SCHEMBL3732060 0.77 PTPN1 (0.52) PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed