SCHEMBL25715746

SCHEMBL25715746

COc1cc(-c2ccc(C(=O)NCC3(F)CCC3)cc2)c2c(N)ncnn12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.40
▸ RIPK1 Q13546 8/20 0.39
▸ ACVRL1 P37023 5/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TNK2 Q07912 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36

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
SCHEMBL25715748 0.81 POLB (0.41) PIK3CDRIPK1EGLN1TP53MEN1
SCHEMBL25715682 0.77 PIK3CD (0.48) PIK3CDACVRL1TNK2CSNK2A2CSNK2A1
SCHEMBL25715750 0.76 KDR (0.41) PIK3CDTP53
SCHEMBL25639719 0.69 ACVRL1 (0.51) PIK3CDRIPK1ACVRL1
SCHEMBL22676013 0.68 ACVRL1 (0.50) PIK3CDRIPK1ACVRL1
SCHEMBL25715553 0.66 CYP11B1 (0.45) ACVRL1TNK2
SCHEMBL22676016 0.66 ACVRL1 (0.43) PIK3CDRIPK1ACVRL1
SCHEMBL31213973 0.63 RPS6KB1 (0.31) —
SCHEMBL25714094 0.63 CYP1A2 (0.48) TP53MEN1KMT2A
SCHEMBL25713063 0.63 LMNA (0.60) —

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
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