SCHEMBL24061649

SCHEMBL24061649

CNCc1ccc(-c2ccnc3[nH]c(-c4cnn(CCN)c4)nc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.53
▸ LCK P06239 2/20 0.42

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
SCHEMBL24061705 0.90 BTK (0.58) BTKLCK
SCHEMBL17660355 0.84 BTK (0.50) BTKLCK
SCHEMBL17645736 0.84 BTK (0.51) BTKLCK
SCHEMBL30950575 0.83 BTK (0.59) BTKLCK
SCHEMBL17645701 0.83 BTK (0.59) BTKLCK
SCHEMBL17646036 0.83 BTK (0.59) BTKLCK
SCHEMBL17664644 0.83 BTK (0.49) BTKLCK
Hydrochloric Acid SCHEMBL30950588 0.82 BTK (0.58) BTKLCK
Hydrochloric Acid SCHEMBL17645842 0.82 BTK (0.58) BTKLCK
SCHEMBL17646040 0.82 BTK (0.53) 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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