SCHEMBL4411016

SCHEMBL4411016

CCN1CCCC1CNC(=O)c1cc(-c2cc(NC(=O)c3cc(C#N)cc(N4CCOCC4)c3)ccc2C)no1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.46
RAF1 P04049 16/20 0.46
MAPK13 O15264 1/20 0.41
HSPB1 P04792 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
RAB9A P51151 1/20 0.40
CSF1R P07333 1/20 0.39

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
SCHEMBL4412840 0.90 RAF1 (0.51) BRAFRAF1MAPK14
SCHEMBL4541481 0.89 RAB9A (0.47) BRAFRAF1MAPK13HSPB1MAPK12
SCHEMBL4416983 0.88 RAB9A (0.41) BRAFRAF1RAB9A
SCHEMBL4418487 0.86 MAPK14 (0.48) BRAFRAF1MAPK13HSPB1MAPK12
SCHEMBL4565287 0.84 RAB9A (0.47) BRAFRAF1HSPB1MAPK14RAB9A
SCHEMBL4412693 0.84 RAF1 (0.49) BRAFRAF1CSF1R
SCHEMBL5593311 0.82 RAF1 (0.46) BRAFRAF1CSF1R
SCHEMBL5602744 0.82 RAB9A (0.43) BRAFRAF1MAPK14RAB9A
SCHEMBL4410942 0.81 BRAF (0.45) BRAFRAF1CSF1R
SCHEMBL4407770 0.81 MAPK14 (0.51) BRAFRAF1MAPK14

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 3 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed