SCHEMBL4551384

SCHEMBL4551384

Cc1ccc(NC(=O)c2cc(F)cc(N3CCCOCC3)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.52
BRAF P15056 5/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK14 Q16539 12/20 0.48

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
SCHEMBL5592981 0.98 RAF1 (0.54) RAF1BRAFRAB9ANPC1MAPK14
SCHEMBL14473332 0.92 RAB9A (0.51) RAF1BRAFRAB9ANPC1MAPK14
SCHEMBL4551381 0.90 RAB9A (0.53) RAF1BRAFRAB9ANPC1
SCHEMBL4412542 0.89 RAF1 (0.54) RAF1BRAFMAPK14
SCHEMBL4566569 0.89 RAF1 (0.55) RAF1BRAFMAPK14
SCHEMBL5593171 0.89 RAB9A (0.51) RAF1BRAFRAB9ANPC1MAPK14
SCHEMBL5593491 0.89 RAF1 (0.60) RAF1BRAFRAB9ANPC1
SCHEMBL4551893 0.88 RAF1 (0.54) RAF1BRAFMAPK14
SCHEMBL4541481 0.87 RAB9A (0.47) RAF1BRAFRAB9ANPC1MAPK14
SCHEMBL5593266 0.87 RAB9A (0.50) RAF1BRAFRAB9ANPC1MAPK14

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