SCHEMBL4411709

SCHEMBL4411709

Cc1ccc(NC(=O)c2cncc(N3CCCCC3)c2)cc1-c1cc(C(=O)NC2CCOCC2)on1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.47
RAF1 P04049 16/20 0.46
BRAF P15056 15/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL4410928 0.99 RIPK2 (0.48) RIPK2RAF1BRAFMEN1NPC1
SCHEMBL4408515 0.87 CSF1R (0.56) RAF1BRAF
SCHEMBL4410085 0.86 CSF1R (0.57) RAF1BRAF
SCHEMBL4420730 0.85 RAB9A (0.50) RAF1BRAFMEN1NPC1MAPT
SCHEMBL4541529 0.84 RAF1 (0.57) RAF1BRAF
SCHEMBL4412422 0.84 RAB9A (0.51) RAF1BRAFMEN1NPC1MAPT
SCHEMBL5593266 0.83 RAB9A (0.50) RAF1BRAFNPC1RAB9A
SCHEMBL4417865 0.83 BRAF (0.47) RAF1BRAFMEN1NPC1TP53
SCHEMBL5603601 0.82 CSF1R (0.60) RAF1BRAF
SCHEMBL4410231 0.82 BRAF (0.48) RAF1BRAFMEN1NPC1TP53

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