SCHEMBL5601602

SCHEMBL5601602

Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-c1cn(C)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.43
BRAF P15056 14/20 0.43
PLAU P00749 1/20 0.40
MAPK14 Q16539 2/20 0.39
CFTR P13569 1/20 0.39
MAPK10 P53779 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL5602958 0.82 RAF1 (0.45) RAF1BRAFPLAU
SCHEMBL4781149 0.79 PLAU (0.40) RAF1BRAFPLAUMAPK14CFTR
SCHEMBL4551368 0.73 RAF1 (0.46) RAF1BRAFPLAU
SCHEMBL4783670 0.73 MAPK14 (0.39) RAF1BRAFPLAUMAPK14GPR183
SCHEMBL4782308 0.72 PLAU (0.41) RAF1BRAFPLAUMAPK14
SCHEMBL4782767 0.71 CNR2 (0.42) RAF1BRAFPLAUMAPK14
SCHEMBL5604506 0.71 PLAU (0.40) RAF1BRAFPLAU
SCHEMBL5603871 0.71 BRAF (0.41) RAF1BRAFPLAU
SCHEMBL4778219 0.70 NAPEPLD (0.40) RAF1BRAFPLAUMAPK14
SCHEMBL4781359 0.70 ACKR3 (0.47) RAF1BRAFPLAU

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