SCHEMBL13893891

SCHEMBL13893891

Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)[nH]n3)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.61
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.52
CLK2 P49760 1/20 0.52
TYK2 P29597 1/20 0.49

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
SCHEMBL13893892 0.92 BTK (0.52) BTKCLK2
SCHEMBL13894043 0.90 BTK (0.49) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL13894046 0.89 BTK (0.67) BTK
SCHEMBL12602968 0.88 KDM4E (0.55) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL13894025 0.86 BTK (0.67) BTKKDM4ERAB9ACLK2
SCHEMBL13893945 0.86 RAB9A (0.56) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL13894015 0.86 BTK (0.46) BTKKDM4ERAB9A
SCHEMBL13893950 0.83 BTK (0.48) BTKCLK2
SCHEMBL15906458 0.82 BTK (0.72) BTK
SCHEMBL13894284 0.82 BTK (0.58) BTKKDM4ERAB9ACLK2TYK2

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