SCHEMBL1660185

SCHEMBL1660185

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(Br)ccc3Cl)cc2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.67
KDR P35968 6/20 0.67
BRAF P15056 5/20 0.67
EPHX2 P34913 4/20 0.67
RET P07949 4/20 0.67
MAPK14 Q16539 4/20 0.67
ABL1 P00519 3/20 0.67
EPHA2 P29317 3/20 0.67
MAP3K20 Q9NYL2 3/20 0.67
AURKB Q96GD4 3/20 0.67
RIPK2 O43353 2/20 0.67
ABCB11 O95342 2/20 0.67
HTR1A P08908 2/20 0.67
PDGFRB P09619 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
KIT P10721 2/20 0.67
FGFR1 P11362 2/20 0.67
PDGFRA P16234 2/20 0.67
FLT1 P17948 2/20 0.67
MAOA P21397 2/20 0.67

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
SCHEMBL1660281 0.90 RAF1 (0.69) RAF1KDRBRAFEPHX2RET
SCHEMBL1658928 0.89 RAF1 (0.69) RAF1KDRBRAFEPHX2RET
SCHEMBL1660279 0.88 RAF1 (0.66) RAF1KDRBRAFEPHX2RET
SCHEMBL1660163 0.88 RAF1 (0.66) RAF1KDRBRAFEPHX2RET
SCHEMBL1658925 0.87 RAF1 (0.75) RAF1KDRBRAFEPHX2RET
SCHEMBL16621444 0.87 RAF1 (0.68) RAF1KDRBRAFEPHX2RET
SCHEMBL12798393 0.87 RAF1 (0.61) RAF1KDRBRAFEPHX2RET
SCHEMBL12500709 0.86 RAF1 (0.67) RAF1KDRBRAFEPHX2RET
SCHEMBL1660255 0.86 RAF1 (0.79) RAF1KDRBRAFEPHX2RET
SCHEMBL257980 0.85 RAF1 (0.82) RAF1KDRBRAFEPHX2RET

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-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO claimed
WO-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed