SCHEMBL25716852

SCHEMBL25716852

C=CC(=O)Nc1ccc(-c2ccc3cnc(N)n3c2-c2ccc(Oc3cccc(C)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP2K7 O14733 2/20 0.42
▸ BTK Q06187 12/20 0.41
▸ TGM2 P21980 3/20 0.39
▸ EGFR P00533 6/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ F13A1 P00488 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ TGM3 Q08188 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ MAP3K7 O43318 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 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
SCHEMBL25716851 0.80 BTK (0.42) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL30303904 0.75 BTK (0.47) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL22676843 0.75 BTK (0.47) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL31745444 0.75 BTK (0.41) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL25715068 0.75 BTK (0.41) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL25718094 0.75 BTK (0.41) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL25715020 0.75 FLT3 (0.43) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL22676078 0.75 FGFR1 (0.51) MAP2K7BTKEGFRKCNH2FLT3
SCHEMBL30303351 0.74 BTK (0.46) MAP2K7BTKTGM2EGFRKCNH2
SCHEMBL22676040 0.74 BTK (0.46) MAP2K7BTKTGM2EGFRKCNH2

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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