SCHEMBL13626376

SCHEMBL13626376

CCc1sc(C(=O)Nc2ccc(F)c(-c3cn(C)c(=O)c(Nc4cnn(CC)c4)n3)n2)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.37
JAK3 P52333 6/20 0.34
JAK1 P23458 5/20 0.34
JAK2 O60674 4/20 0.34
TYK2 P29597 2/20 0.33
CCND1 P24385 1/20 0.33
CDK6 Q00534 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
SCHEMBL13626140 0.89 BTK (0.39) BTKJAK3JAK1JAK2TYK2
SCHEMBL13626129 0.88 BTK (0.47) BTKJAK3JAK1JAK2
SCHEMBL13626824 0.87 BTK (0.48) BTKJAK3JAK1JAK2TYK2
SCHEMBL13626468 0.86 BTK (0.49) BTK
SCHEMBL13626134 0.84 BTK (0.40) BTK
SCHEMBL13626128 0.84 BTK (0.41) BTK
SCHEMBL13626487 0.82 BTK (0.33) BTKCCND1CDK6
SCHEMBL1423409 0.81 BTK (0.38) BTKJAK3JAK1JAK2TYK2
SCHEMBL13626126 0.81 BTK (0.49) BTKJAK1JAK2TYK2
SCHEMBL13626827 0.75 BTK (0.47) BTK

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-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed