SCHEMBL13759263

SCHEMBL13759263

C=C(C)c1nc(Nc2ccc3[nH]c(C)c(C)c3c2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
AURKA O14965 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
IGF1R P08069 2/20 0.40
LCK P06239 2/20 0.39
HTR2B P41595 1/20 0.39
GRM4 Q14833 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
TOP2A P11388 1/20 0.38
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL426894 0.89 KIT (0.42) KITFLT3AURKACCNA2CDK2
SCHEMBL425313 0.86 KIT (0.45) KITFLT3AURKACCNA2CDK2
SCHEMBL13759072 0.85 AURKA (0.42) KITFLT3AURKACCNA2CDK2
SCHEMBL14529997 0.83 IGF1R (0.44) KITFLT3AURKACCNA2CDK2
SCHEMBL431091 0.82 KIT (0.45) KITFLT3AURKACCNA2CDK2
SCHEMBL13759184 0.79 AURKA (0.44) KITFLT3AURKACCNA2CDK2
SCHEMBL428542 0.79 AURKA (0.46) KITFLT3AURKACCNA2CDK2
SCHEMBL430725 0.78 AURKA (0.43) KITFLT3AURKACCNA2CDK2
SCHEMBL12706393 0.78 AURKA (0.43) AURKASIGMAR1GRM4HSD17B10TOP2A
SCHEMBL425180 0.78 AURKA (0.42) FLT3AURKACCNA2CDK2TTK

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed