SCHEMBL25716848

SCHEMBL25716848

Cc1cccc(Oc2ccc(-c3c(-c4ccc(NC(=O)/C=C/CN(C)C)cc4)ccc(N)c3C(=N)N)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.38
▸ PIP4K2A P48426 3/20 0.37
▸ PIP4K2B P78356 3/20 0.37
▸ EGFR P00533 8/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ ITK Q08881 3/20 0.36
▸ LCK P06239 1/20 0.36
▸ CDK14 O94921 2/20 0.35
▸ CCNY Q8ND76 2/20 0.35
▸ BRD4 O60885 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
SCHEMBL25718094 0.86 BTK (0.41) BTKEGFRERBB2
SCHEMBL25718199 0.81 F10 (0.34) BTKJAK3
SCHEMBL25718091 0.77 MAP2K7 (0.44) BTKEGFRBRD4
SCHEMBL31745494 0.76 BTK (0.38) BTKPIP4K2APIP4K2BEGFRJAK3
SCHEMBL25715529 0.75 FLT3 (0.43) BTKPIP4K2APIP4K2BEGFRJAK3
SCHEMBL25718318 0.74 BTK (0.44) BTKPIP4K2APIP4K2BEGFRJAK3
SCHEMBL25718089 0.73 BTK (0.41) BTKEGFR
SCHEMBL25718196 0.73 BTK (0.39) BTKEGFRERBB2ITK
SCHEMBL25716850 0.71 BTK (0.41) BTKEGFR
SCHEMBL25715020 0.70 FLT3 (0.43) BTKEGFRJAK3ITKLCK

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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