SCHEMBL25718318

SCHEMBL25718318

Cc1cccc(Oc2ccc(-c3c(C(N)=O)c4n(c3-c3ccc(NC(=O)/C=C/CN(C)C)cc3)CCCN4)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.44
▸ EGFR P00533 4/20 0.38
▸ CCNK O75909 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ CCNH P51946 2/20 0.35
▸ MNAT1 P51948 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ CDK14 O94921 2/20 0.34
▸ CCNY Q8ND76 2/20 0.34
▸ PIP4K2A P48426 1/20 0.34
▸ PIP4K2B P78356 1/20 0.34

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
SCHEMBL25714798 0.88 BTK (0.46) BTKEGFR
SCHEMBL25716990 0.84 BTK (0.39) BTKEGFR
SCHEMBL30791524 0.84 BTK (0.47) BTKEGFR
SCHEMBL25716989 0.83 BTK (0.35) BTKEGFR
SCHEMBL25714796 0.82 BTK (0.39) BTKEGFR
SCHEMBL31745494 0.80 BTK (0.38) BTKEGFRCCNKCCNA2CDK2
SCHEMBL30791511 0.78 BTK (0.40) BTKEGFR
SCHEMBL25716987 0.75 BTK (0.37) BTKEGFR
SCHEMBL30791515 0.74 BTK (0.41) BTK
SCHEMBL25716848 0.74 BTK (0.38) BTKEGFRJAK3CDK14CCNY

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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