SCHEMBL13894048

SCHEMBL13894048

Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccnc(N5CCC(O)C5)n4)c(=O)[nH]n3)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.49
CDK2 P24941 10/20 0.49
BTK Q06187 6/20 0.44
EGFR P00533 2/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13894053 0.85 BTK (0.45) CCNE1CDK2BTK
SCHEMBL13894044 0.83 BTK (0.51) BTK
SCHEMBL13893944 0.82 BTK (0.53) BTK
SCHEMBL13894043 0.82 BTK (0.49) BTK
SCHEMBL13893941 0.81 BTK (0.55) BTK
SCHEMBL103720 0.81 BTK (0.47) CCNE1CDK2BTK
SCHEMBL13893894 0.78 BTK (0.45) BTKTP53MAPT
SCHEMBL13893893 0.78 BTK (0.48) BTKTP53MAPT
SCHEMBL13894015 0.77 BTK (0.46) BTKTP53MAPT
SCHEMBL13893892 0.76 BTK (0.52) 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-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed