SCHEMBL5821100

SCHEMBL5821100

Cc1ccc(Nc2ccc3c(C(=O)N(C)C)nn(C(C)C)c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
DHFR P00374 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDK2 P24941 4/20 0.34
KCNH2 Q12809 2/20 0.34
BPTF Q12830 1/20 0.33
GRM5 P41594 1/20 0.33
NOTUM Q6P988 1/20 0.33
MERTK Q12866 1/20 0.33
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
SYK P43405 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL4794040 0.78 NPSR1 (0.41) FTOEGLN1HIF1ANKDM5BUSP2
SCHEMBL3833975 0.71 RET (0.37) FTOEGLN1HIF1ANKDM5BDHFR
SCHEMBL27735791 0.70 AKR1C3 (0.35) FTOEGLN1HIF1ANKDM5BDHFR
SCHEMBL5820285 0.68 ALDH1A1 (0.36) FTOEGLN1HIF1ANKDM5BCYP1A2
SCHEMBL4792976 0.66 KMT2A (0.47) MAPK1MAPT
SCHEMBL4794383 0.66 CCNE1 (0.41) CDK2MAPT
SCHEMBL4793989 0.65 FPR1 (0.36) CYP1A2CYP3A4GRM5MAPK1MAPT
SCHEMBL4794506 0.65 CCNE1 (0.40) CYP1A2CYP3A4CDK2
SCHEMBL5822296 0.64 CCNE1 (0.42) CYP1A2CYP3A4CDK2
SCHEMBL27735794 0.63 MAPK1 (0.40) DHFRBPTFGRM5MAPK1MAPT

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-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed