SCHEMBL25714866

SCHEMBL25714866

COc1cc(-c2ccc(Oc3cccc(C)n3)cc2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 10/20 0.41
▸ ACVRL1 P37023 6/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 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
SCHEMBL25715608 0.84 TNK2 (0.39) TNK2ACVRL1
SCHEMBL25714867 0.79 MAP4K4 (0.40) TNK2MAP4K4
SCHEMBL25714868 0.79 KDR (0.39) TNK2MAP4K4
SCHEMBL25715553 0.78 CYP11B1 (0.45) TNK2ACVRL1
SCHEMBL25715652 0.77 FGFR1 (0.35) TNK2MAP4K4
SCHEMBL25715484 0.72 ALOX5AP (0.46) TNK2ACVRL1
SCHEMBL25716096 0.70 TEK (0.53) MAP4K4KMT2A
SCHEMBL25715682 0.68 PIK3CD (0.48) TNK2ACVRL1
SCHEMBL31649505 0.68 TNK2 (0.51) TNK2ACVRL1KMT2A
SCHEMBL22658711 0.68 FGFR1 (0.42) —

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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