SCHEMBL4417865

SCHEMBL4417865

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.47
RAF1 P04049 13/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4410231 0.99 BRAF (0.48) BRAFRAF1MEN1NPC1TP53
SCHEMBL4551383 0.94 BRAF (0.54) BRAFRAF1
SCHEMBL4410286 0.88 RAF1 (0.49) BRAFRAF1MAPK14
SCHEMBL14473010 0.87 RAF1 (0.45) BRAFRAF1NPC1RAB9ASMN1; SMN2
SCHEMBL5593431 0.87 RAF1 (0.49) BRAFRAF1MAPK14
SCHEMBL4412866 0.87 RAF1 (0.56) BRAFRAF1
SCHEMBL5601764 0.86 BRAF (0.40) BRAFRAF1
SCHEMBL4409531 0.86 RAF1 (0.42) BRAFRAF1
SCHEMBL4420730 0.86 RAB9A (0.50) BRAFRAF1MEN1NPC1MAPT
SCHEMBL4417023 0.86 RAF1 (0.56) BRAFRAF1

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