SCHEMBL4788871

SCHEMBL4788871

Cc1ccc(Nc2cccc(C(F)(F)F)c2C)cc1NC(=O)c1cnc2[nH]ccc2c1NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.42
MAPK14 Q16539 3/20 0.39
KDR P35968 1/20 0.39
BMX P51813 1/20 0.38
DDR1 Q08345 2/20 0.38
CDK8 P49336 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
BRAF P15056 4/20 0.38
MET P08581 1/20 0.38
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
PTGES O14684 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
DDR2 Q16832 1/20 0.37
EGFR P00533 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
SCHEMBL4788874 0.92 KMT2A (0.43) LCKMAPK14KDRDDR1CDK8
SCHEMBL4788641 0.89 LCK (0.49) LCKMAPK14KDRBMXDDR1
SCHEMBL4789346 0.84 LCK (0.49) LCKMAPK14KDRCDK8KMT2A
SCHEMBL4788647 0.80 LCK (0.46) LCKMAPK14KDRBMXDDR1
SCHEMBL4790218 0.79 BMX (0.49) LCKMAPK14KDRBMXDDR1
SCHEMBL4787603 0.78 RAF1 (0.47) LCKMAPK14KDRBMXDDR1
SCHEMBL4789699 0.78 RAF1 (0.47) LCKMAPK14KDRBMXDDR1
SCHEMBL4788649 0.76 BMX (0.47) LCKMAPK14KDRBMXDDR1
SCHEMBL4787775 0.76 RXFP1 (0.51) LCKMAPK14KDRBMXDDR1
SCHEMBL4788889 0.76 BMX (0.53) LCKMAPK14KDRBMXDDR1

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