SCHEMBL24061605

SCHEMBL24061605

CCn1cc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5cnn(Cc6cnc7[nH]c(-c8cnn(C)c8)nc7c6-c6ccc(CNC(=O)CCC(C)(C)C)c(F)c6)c5)nc34)cc2F)cn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.53
▸ LCK P06239 2/20 0.49

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
SCHEMBL17646016 0.87 BTK (0.62) BTKLCK
SCHEMBL17645994 0.87 BTK (0.66) BTKLCK
SCHEMBL17645974 0.83 BTK (0.63) BTKLCK
SCHEMBL17645673 0.80 BTK (0.80) BTKLCK
SCHEMBL17646050 0.79 BTK (0.80) BTKLCK
SCHEMBL17646058 0.76 BTK (0.59) BTKLCK
SCHEMBL17645868 0.76 BTK (0.81) BTKLCK
SCHEMBL24061610 0.76 BTK (0.56) BTKLCK
SCHEMBL17646005 0.76 BTK (0.56) BTKLCK
SCHEMBL17645895 0.76 BTK (0.81) 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
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
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