SCHEMBL20169162

SCHEMBL20169162

CC#CC(=O)N1CCC2(CC(n3nc(-c4cnn(Cc5cc(F)cc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
TEC P42680 10/20 0.83
TXK P42681 10/20 0.83
BMX P51813 10/20 0.83

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
SCHEMBL18996791 1.00 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996800 0.93 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996801 0.93 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996811 0.91 BTK (1.00) BTKTECTXKBMX
SCHEMBL20169160 0.91 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996784 0.91 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996933 0.89 BTK (0.80) BTKTECTXKBMX
SCHEMBL18996798 0.89 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996809 0.89 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996792 0.88 BTK (1.00) BTKTECTXKBMX

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
US-9975882-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-22 US disclosed
US-9975882-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-22 US disclosed