SCHEMBL29037166

SCHEMBL29037166

Cc1cccc(-c2nc(Nc3ccnc4ccoc34)c3nc[nH]c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.46
TGFBR2 P37173 5/20 0.46
ASIC3 Q9UHC3 1/20 0.38
MAPK14 Q16539 1/20 0.37

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
SCHEMBL29037180 0.84 TGFBR1 (0.59) TGFBR1TGFBR2MAPK14
SCHEMBL18554284 0.78 TGFBR1 (0.73) TGFBR1TGFBR2
SCHEMBL29037183 0.74 TGFBR1 (0.44) TGFBR1TGFBR2
SCHEMBL18554301 0.71 TGFBR1 (0.73) TGFBR1TGFBR2
SCHEMBL29366034 0.69 CCR1 (0.42) TGFBR1TGFBR2MAPK14
SCHEMBL29366038 0.69 CCR1 (0.42) TGFBR1TGFBR2MAPK14
SCHEMBL22978898 0.69 CCR1 (0.42) TGFBR1TGFBR2MAPK14
SCHEMBL23007699 0.66 TGFBR1 (0.43) TGFBR1TGFBR2MAPK14
SCHEMBL23007684 0.65 TGFBR1 (0.38) TGFBR1TGFBR2MAPK14
SCHEMBL23007882 0.65 TGFBR1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789681-A Imidazo pyrimidine compound containing fused ring group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-09-22 CN disclosed
CN-112341477-B Imidazo pyrimidine compound containing fused ring group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-07-21 CN disclosed
CN-112341477-A Imidazo pyrimidine compound containing polycyclic group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-02-09 CN disclosed