SCHEMBL5593352

SCHEMBL5593352

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCC3)c2)cc1-c1cc(C(=O)NN2CCCCC2)on1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.41
BRAF P15056 14/20 0.41
CSF1R P07333 2/20 0.40
MAPK14 Q16539 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5593311 0.95 RAF1 (0.46) RAF1BRAFCSF1R
SCHEMBL4419811 0.89 TEK (0.46) RAF1BRAF
SCHEMBL4412596 0.88 ACKR3 (0.43) RAF1BRAFCSF1RMAPK14NPC1
SCHEMBL4409531 0.88 RAF1 (0.42) RAF1BRAFCSF1R
SCHEMBL4409551 0.87 RAF1 (0.43) RAF1BRAFCSF1R
SCHEMBL4565287 0.85 RAB9A (0.47) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL4416214 0.84 MAPK14 (0.43) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL4415069 0.84 MAPK14 (0.47) RAF1BRAFMAPK14NPC1
SCHEMBL4418552 0.83 MAPK14 (0.44) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL4408497 0.83 MAPK14 (0.48) RAF1BRAFMAPK14NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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