SCHEMBL25715401

SCHEMBL25715401

C=CC(=O)Nc1cc(C)c(-c2cc(-c3ccn(C)n3)c3[nH]nc(N)c3c2-c2ccc(Oc3cccc(C)n3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.36
▸ EGFR P00533 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ S1PR2 O95136 1/20 0.34
▸ FGFR4 P22455 1/20 0.33
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL25715400 0.85 JAK2 (0.39) BTKJAK2JAK1TYK2JAK3
SCHEMBL25715151 0.84 BTK (0.40) BTKEGFRKCNH2ABL1
SCHEMBL25716316 0.77 EPHB4 (0.40) BTKEGFRKCNH2FGFR4
SCHEMBL25716378 0.75 BTK (0.40) BTKEGFRKCNH2FGFR4ABL1
SCHEMBL25715301 0.75 KDR (0.38) BTKEGFRFGFR4ABL1
SCHEMBL25718196 0.74 BTK (0.39) BTKEGFRKCNH2FGFR4
SCHEMBL25716455 0.74 EGFR (0.39) BTKEGFRKCNH2FGFR4ABL1
SCHEMBL25715149 0.74 MAPK1 (0.36) BTKEGFRKCNH2FGFR4
SCHEMBL25716441 0.73 LCK (0.36) BTKEGFRKCNH2FGFR4ABL1
SCHEMBL25715071 0.71 BTK (0.49) BTKEGFRKCNH2JAK2TYK2

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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