SCHEMBL4408316

SCHEMBL4408316

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
RAF1 P04049 11/20 0.46
BRAF P15056 11/20 0.46
NAMPT P43490 3/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4418552 0.95 MAPK14 (0.44) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4416214 0.94 MAPK14 (0.43) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL5603999 0.90 MAPK14 (0.53) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4551597 0.89 MAPK14 (0.60) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4551606 0.88 MAPT (0.47) MAPK14RAF1BRAFTP53SMN1; SMN2
SCHEMBL4413471 0.88 RAF1 (0.58) MAPK14RAF1BRAF
SCHEMBL4407770 0.88 MAPK14 (0.51) MAPK14RAF1BRAF
SCHEMBL4551494 0.88 MAPK14 (0.51) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4412693 0.86 RAF1 (0.49) RAF1BRAF
SCHEMBL5593016 0.85 TEK (0.53) BRAFNAMPTSMN1; SMN2

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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed