SCHEMBL9795671

SCHEMBL9795671

CC#Cc1cc(N(C)C)nc(Nc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
SLC2A1 P11166 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TGM2 P21980 1/20 0.44
CDK2 P24941 1/20 0.43
KCNH3 Q9ULD8 3/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY5R Q15761 1/20 0.39
IGF1R P08069 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
JAK3 P52333 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
Mepanipyrim SCHEMBL29672635 0.81 TAAR1 (0.55) TAAR1SLC2A1ALDH1A1CDK2KCNH3
Mepanipyrim SCHEMBL22040 0.81 TAAR1 (0.55) TAAR1SLC2A1ALDH1A1CDK2KCNH3
SCHEMBL9795701 0.79 MAPT (0.49) TAAR1ALDH1A1CDK2KCNH3MEN1
Mepanipyrim SCHEMBL28756483 0.79 TAAR1 (0.54) TAAR1SLC2A1ALDH1A1CDK2KCNH3
SCHEMBL3244058 0.79 TAAR1 (0.69) TAAR1SLC2A1ALDH1A1TGM2CDK2
SCHEMBL6791894 0.79 TAAR1 (0.73) TAAR1SLC2A1ALDH1A1TGM2CDK2
SCHEMBL9796156 0.77 CDK2 (0.43) TAAR1ALDH1A1CDK2KCNH3MEN1
Mepanipyrim SCHEMBL26109940 0.75 TAAR1 (0.49) TAAR1SLC2A1ALDH1A1CDK2KCNH3
Mepanipyrim SCHEMBL28515840 0.75 RAB9A (0.50) TAAR1SLC2A1ALDH1A1TGM2CDK2
Mepanipyrim SCHEMBL9795913 0.74 TAAR1 (0.48) TAAR1SLC2A1ALDH1A1TGM2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988704-A Pyrimidine fungicides for plants KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-29 US disclosed
EP-0224339-B1 PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING SAME AND AGRICULTURAL OR HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-02 EP disclosed
US-4814338-A ANILINO PYRIMIDINE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-21 US disclosed
EP-0224339-A2 Pyrimidine derivative, process for preparing same and agricultural or horticultural fungicidal composition containing same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-06-03 EP disclosed