SCHEMBL30950447

SCHEMBL30950447

CN(C)C/C=C/C(=O)Nc1ccccc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(F)c3)ccnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.53
▸ LCK P06239 2/20 0.51
▸ EGFR P00533 1/20 0.37

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
SCHEMBL27452106 1.00 BTK (0.53) BTKLCKEGFR
SCHEMBL27452111 0.93 BTK (0.44) BTKLCKEGFR
SCHEMBL30950490 0.93 BTK (0.44) BTKLCKEGFR
SCHEMBL27461700 0.93 BTK (0.54) BTKLCK
SCHEMBL27452109 0.92 BTK (0.43) BTKLCKEGFR
SCHEMBL30950579 0.92 BTK (0.43) BTKLCKEGFR
SCHEMBL17645657 0.90 BTK (0.57) BTKLCK
SCHEMBL30950530 0.90 BTK (0.52) BTKLCKEGFR
SCHEMBL27452107 0.90 BTK (0.52) BTKLCKEGFR
SCHEMBL27454148 0.89 BTK (0.54) BTKLCK

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-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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