SCHEMBL23008010

SCHEMBL23008010

Cc1cccc(-c2nc(-c3cn(C)c4c(F)nccc34)c3nc[nH]c3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.38
TGFBR2 P37173 5/20 0.38
BRD4 O60885 2/20 0.33
MAPK14 Q16539 3/20 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
SCHEMBL23007681 0.90 TGFBR1 (0.35) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007693 0.89 TGFBR1 (0.34) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007702 0.89 TGFBR1 (0.35) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007692 0.89 TGFBR1 (0.35) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23008015 0.89 TGFBR1 (0.36) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007690 0.88 TGFBR1 (0.35) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007700 0.87 TGFBR1 (0.34) TGFBR1TGFBR2BRD4MAPK14
SCHEMBL23007687 0.86 TGFBR1 (0.33) TGFBR1TGFBR2MAPK14
SCHEMBL23007704 0.85 TGFBR1 (0.33) TGFBR1TGFBR2MAPK14
SCHEMBL23007866 0.85 TGFBR1 (0.45) TGFBR1TGFBR2MAPK14

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-2021027594-A1 IMIDAZOLOPYRIMIDINE COMPOUNDS COMPRISING FUSED RING GROUP, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-02-18 WO disclosed