SCHEMBL4726017

SCHEMBL4726017

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
PTK2 Q05397 10/20 0.41
EGLN1 Q9GZT9 2/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
RET P07949 1/20 0.41
GSK3A P49840 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 1/20 0.39
ATR Q13535 1/20 0.39

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
SCHEMBL4725924 0.94 MAPK14 (0.43) RAF1BRAFRETMAPK14
SCHEMBL4783017 0.93 MAPK14 (0.41) RAF1BRAFRETMAPK14
SCHEMBL4727320 0.92 CNR2 (0.42) RAF1BRAFRETMAPK14
SCHEMBL4730967 0.91 RAF1 (0.44) EGLN1RAF1BRAFGSK3AMAPK14
SCHEMBL4725979 0.90 MAPK14 (0.43) EGLN1RAF1BRAFMAPK14
SCHEMBL4729211 0.89 MAPK14 (0.40) EGLN1RAF1BRAFRETMAPK14
SCHEMBL4725975 0.88 MAPK14 (0.41) EGLN1RAF1BRAFMAPK14
SCHEMBL4727823 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4728370 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4727004 0.85 RAF1 (0.43) RAF1BRAFMAPK14

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed