SCHEMBL4418487

SCHEMBL4418487

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCC2CCN(C)CC2)on1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
MAPK13 O15264 1/20 0.48
HSPB1 P04792 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
BRAF P15056 13/20 0.45
RAF1 P04049 12/20 0.45
USP30 Q70CQ3 1/20 0.42
NAMPT P43490 1/20 0.42
CNR1 P21554 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL4541481 0.90 RAB9A (0.47) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4410942 0.89 BRAF (0.45) BRAFRAF1CSF1R
SCHEMBL5604230 0.88 RAF1 (0.59) BRAFRAF1CSF1R
SCHEMBL4411016 0.86 BRAF (0.46) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4412693 0.86 RAF1 (0.49) BRAFRAF1CSF1R
SCHEMBL4565287 0.85 RAB9A (0.47) MAPK14HSPB1BRAFRAF1NAMPT
SCHEMBL4566569 0.84 RAF1 (0.55) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4412542 0.83 RAF1 (0.54) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4408316 0.83 MAPK14 (0.49) MAPK14BRAFRAF1NAMPT
SCHEMBL4407770 0.83 MAPK14 (0.51) MAPK14BRAFRAF1

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