SCHEMBL25718094

SCHEMBL25718094

C=CC(=O)Nc1ccc(-c2ccc(N)c(C(=N)N)c2-c2ccc(Oc3cccc(C)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.41
▸ EGFR P00533 6/20 0.41
▸ MAP2K7 O14733 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TGM2 P21980 3/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ F13A1 P00488 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ TGM3 Q08188 1/20 0.35
▸ ERBB2 P04626 1/20 0.35

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
SCHEMBL25718091 0.90 MAP2K7 (0.44) BTKEGFRMAP2K7KCNH2TGM2
SCHEMBL25718199 0.87 F10 (0.34) BTKKCNH2
SCHEMBL25716848 0.86 BTK (0.38) BTKEGFRERBB2
SCHEMBL25718089 0.86 BTK (0.41) BTKEGFRMAP2K7KCNH2TGM2
SCHEMBL25718196 0.85 BTK (0.39) BTKEGFRMAP2K7KCNH2ERBB2
SCHEMBL25716850 0.84 BTK (0.41) BTKEGFRMAP2K7KCNH2TGM2
SCHEMBL25715068 0.81 BTK (0.41) BTKEGFRMAP2K7KCNH2TGM2
SCHEMBL25715020 0.81 FLT3 (0.43) BTKEGFRMAP2K7KCNH2TGM2
SCHEMBL25715071 0.80 BTK (0.49) BTKEGFRMAP2K7KCNH2FLT3
SCHEMBL25715112 0.80 BTK (0.40) BTKEGFRMAP2K7KCNH2TGM2

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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