SCHEMBL29907708

SCHEMBL29907708

Cc1cnc2ccc(-c3nc(C(N)=O)cnc3-c3ccc(F)cc3)cn12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.51
TGFBR2 P37173 7/20 0.51
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50

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
SCHEMBL31360638 0.84 TGFBR1 (0.53) TGFBR1TGFBR2
SCHEMBL28961496 0.83 ADORA2A (0.63) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL29907604 0.81 ADORA2A (0.61) TGFBR1ADORA2AADORA1
SCHEMBL30880826 0.81 TGFBR1 (0.41) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL20600491 0.79 TGFBR1 (0.52) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL27399217 0.79 ADORA2A (0.47) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL29907719 0.79 ADORA2A (0.63) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL22551856 0.79 ADORA2A (0.63) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL29907659 0.78 ADORA2A (0.56) TGFBR1TGFBR2ADORA2AADORA1
SCHEMBL22551880 0.78 ADORA2A (0.63) TGFBR1ADORA2AADORA1

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
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed