SCHEMBL6820798

SCHEMBL6820798

Cc1ccc(C(=O)c2ccc(O)c(-c3cc(N4CCN(Cc5ccncn5)CC4)nc(N)n3)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.40
CDK2 P24941 4/20 0.40
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
PPARG P37231 1/20 0.32
PARP1 P09874 1/20 0.32
HSD17B14 Q9BPX1 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
SCHEMBL6823630 0.87 CDK1 (0.49) CDK1CDK2HRH4RAF1BRAF
SCHEMBL6918875 0.84 CDK1 (0.55) CDK1CDK2HRH4HSD17B14
SCHEMBL6826440 0.83 CDK1 (0.55) CDK1CDK2RAF1BRAF
SCHEMBL6825113 0.82 CDK1 (0.44) CDK1CDK2HRH4RAF1BRAF
SCHEMBL6824582 0.76 CYP46A1 (0.39) CDK1CDK2MEN1POLBKMT2A
SCHEMBL6823887 0.74 CDK2 (0.37) CDK1CDK2MEN1KMT2AHSD17B14
SCHEMBL6821385 0.74 MAPK14 (0.34) CDK1CDK2
SCHEMBL6824190 0.73 MAPK14 (0.43) CDK1CDK2
SCHEMBL6826342 0.73 KMT2A (0.40) CDK1CDK2MEN1POLBKMT2A
SCHEMBL6826271 0.73 KDM4E (0.41) CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004080979-A1 NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES LG LIFE SCIENCES LTD. (KR) 2004-09-23 WO claimed
WO-2004080979-A1 NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES LG LIFE SCIENCES LTD. (KR) 2004-09-23 WO disclosed