SCHEMBL5490935

SCHEMBL5490935

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(NCC2CCOCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.45
MAPK14 Q16539 16/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
SMO Q99835 1/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
PLAU P00749 1/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 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
SCHEMBL4551651 0.99 CRHR1 (0.45) CRHR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5487361 0.96 MAPK14 (0.47) CRHR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5490598 0.95 CRHR1 (0.50) CRHR1MAPK14SMOLCKKDR
SCHEMBL4408418 0.94 CRHR1 (0.48) CRHR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5489512 0.94 CRHR1 (0.49) CRHR1MAPK14SMORAF1LCK
SCHEMBL14534670 0.93 MAPK14 (0.46) CRHR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5488464 0.93 CRHR1 (0.47) CRHR1MAPK14SMOLCKKDR
SCHEMBL5487267 0.93 CRHR1 (0.47) CRHR1MAPK14SMOLCKKDR
SCHEMBL14534694 0.89 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11SMO
SCHEMBL4551790 0.89 HCAR3 (0.45) CRHR1MAPK14SMOLCKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed