SCHEMBL25714644

SCHEMBL25714644

C=CC(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2-c2ccc(C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.55
▸ ABL1 P00519 15/20 0.48
▸ BCR P11274 15/20 0.48
▸ TGM2 P21980 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ FLT3 P36888 1/20 0.43

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
SCHEMBL25715174 0.82 KDR (0.45) BTKABL1EGFRSRCBLK
SCHEMBL25714929 0.78 KIT (0.51) BTKEGFRSRCBLKFLT3
SCHEMBL22676597 0.78 EGFR (0.50) BTKTGM2EGFRSRCBLK
SCHEMBL30303260 0.78 EGFR (0.50) BTKTGM2EGFRSRCBLK
SCHEMBL25718087 0.77 TGM2 (0.46) BTKTGM2EGFRSRCBLK
SCHEMBL24773365 0.76 BTK (0.54) BTKTGM2EGFRSRCBLK
SCHEMBL22138109 0.76 TGM2 (0.72) BTKTGM2EGFRSRCBLK
SCHEMBL29265780 0.75 FGFR1 (0.56) BTKTGM2EGFRSRCBLK
SCHEMBL25715122 0.75 BTK (0.49) BTKABL1TGM2EGFRSRC
SCHEMBL22676808 0.75 BTK (0.49) BTKTGM2EGFRSRCBLK

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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