SCHEMBL25714865

SCHEMBL25714865

COc1cc(Br)c2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.39
FGFR1 P11362 4/20 0.35
FGFR3 P22607 4/20 0.35
ACVRL1 P37023 4/20 0.34
TNK2 Q07912 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL25715802 0.82 PIK3CD (0.38) PIK3CDFGFR1FGFR3ACVRL1TNK2
SCHEMBL64680 0.77 ALDH1A1 (0.42) PIK3CDACVRL1
SCHEMBL14531415 0.74 ACVRL1 (0.43) PIK3CDFGFR1FGFR3ACVRL1
SCHEMBL19377540 0.73 HTT (0.42) PIK3CD
SCHEMBL14488780 0.73 ACVRL1 (0.52) PIK3CDACVRL1
SCHEMBL16021704 0.73 ACVRL1 (0.45) PIK3CDACVRL1
SCHEMBL25714863 0.72 MAP4K4 (0.41) ACVRL1TNK2CSNK2A2CSNK2A1XDH
SCHEMBL27993999 0.72 ACVRL1 (0.33) PIK3CDFGFR1FGFR3ACVRL1TNK2
SCHEMBL25715553 0.71 CYP11B1 (0.45) ACVRL1TNK2
SCHEMBL28344321 0.71 ALDH1A1 (0.41) PIK3CDCSNK2A2CSNK2A1

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 WO disclosed