SCHEMBL17670767

SCHEMBL17670767

C=CCNc1cccc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)ccnc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.56
▸ LCK P06239 2/20 0.55

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
SCHEMBL17645799 0.91 BTK (0.56) BTKLCK
SCHEMBL27453384 0.90 BTK (0.58) BTKLCK
SCHEMBL30950515 0.90 BTK (0.58) BTKLCK
SCHEMBL27453501 0.89 BTK (0.56) BTKLCK
SCHEMBL27466048 0.89 BTK (0.60) BTKLCK
SCHEMBL17670768 0.89 BTK (0.57) BTKLCK
SCHEMBL30950501 0.88 BTK (0.57) BTKLCK
SCHEMBL27460049 0.88 BTK (0.57) BTKLCK
SCHEMBL17645839 0.88 BTK (0.60) BTKLCK
SCHEMBL30950460 0.88 BTK (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
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