SCHEMBL27454641

SCHEMBL27454641

CN(C)C/C=C/C(=O)Nc1nccnc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C(F)(F)F)c3)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.45
▸ LCK P06239 1/20 0.43
▸ EGFR P00533 1/20 0.34
▸ KIT P10721 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL27454577 0.92 BTK (0.43) BTKLCKEGFRKITPDGFRA
SCHEMBL27454645 0.91 BTK (0.48) BTKLCK
SCHEMBL27460368 0.90 BTK (0.46) BTKLCK
SCHEMBL27454230 0.90 BTK (0.46) BTKLCKKITPDGFRAKDR
SCHEMBL30950556 0.90 BTK (0.46) BTKLCKKITPDGFRAKDR
SCHEMBL27454575 0.88 BTK (0.50) BTKLCK
SCHEMBL27460366 0.88 BTK (0.46) BTKLCKCCNKCDK12
SCHEMBL27454642 0.86 BTK (0.47) BTKLCK
SCHEMBL27460602 0.84 BTK (0.52) BTKLCK
SCHEMBL27452692 0.84 BTK (0.51) 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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