SCHEMBL4787637

SCHEMBL4787637

Cc1ccc(Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccnc2[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.60
BRAF P15056 7/20 0.55
KDR P35968 2/20 0.55
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
MAPK14 Q16539 2/20 0.52
TNNI3K Q59H18 1/20 0.52
PIKFYVE Q9Y2I7 1/20 0.52
CSF1R P07333 3/20 0.51
LCK P06239 1/20 0.50
BTK Q06187 1/20 0.50
KIT P10721 1/20 0.50
BMX P51813 1/20 0.50
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ABL1 P00519 1/20 0.48
SRC P12931 1/20 0.48
DDR1 Q08345 1/20 0.48
DDR2 Q16832 1/20 0.48
KDM4E B2RXH2 2/20 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
SCHEMBL4787643 0.89 BRAF (0.70) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4789334 0.87 BRAF (0.58) BRAFKDRMAPK14TNNI3KLCK
SCHEMBL4788811 0.87 RAF1 (0.52) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4790006 0.86 RAF1 (0.51) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4788889 0.86 BMX (0.53) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4789698 0.85 RAF1 (0.51) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4787557 0.85 RAF1 (0.50) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4790218 0.84 BMX (0.49) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4787135 0.83 MAP3K7 (0.61) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL4790188 0.83 BTK (0.49) RAF1KDRMAPK14PIKFYVECSF1R

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-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed