SCHEMBL23007684

SCHEMBL23007684

CNc1nccc2c1ccn2-c1nc(-c2cccc(C)n2)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.38
TGFBR2 P37173 9/20 0.37
MAPK14 Q16539 1/20 0.34

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
SCHEMBL29366025 0.89 TGFBR1 (0.39) TGFBR1TGFBR2MAPK14
SCHEMBL23007882 0.89 TGFBR1 (0.39) TGFBR1TGFBR2MAPK14
SCHEMBL29363762 0.88 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL23007901 0.88 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL23007694 0.88 TGFBR1 (0.35) TGFBR1TGFBR2MAPK14
SCHEMBL29366436 0.88 TGFBR1 (0.46) TGFBR1TGFBR2
SCHEMBL23008003 0.88 TGFBR1 (0.46) TGFBR1TGFBR2
SCHEMBL23007706 0.87 TGFBR1 (0.35) TGFBR1TGFBR2
SCHEMBL23008014 0.87 TGFBR1 (0.38) TGFBR1TGFBR2
SCHEMBL23008013 0.87 TGFBR1 (0.38) 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