SCHEMBL14219006

SCHEMBL14219006

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cc(C(=O)NCCN2CCOCC2)nn1-c1cc(NC2CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.56
LYN P07948 12/20 0.56
SRC P12931 12/20 0.56
KDR P35968 12/20 0.56
INSR P06213 11/20 0.56
HCK P08631 10/20 0.55
MAPK14 Q16539 2/20 0.51
BRAF P15056 5/20 0.49
RAF1 P04049 4/20 0.49
EPHX2 P34913 1/20 0.45

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
SCHEMBL14219018 0.94 LCK (0.57) LCKLYNSRCKDRINSR
SCHEMBL9967479 0.93 LCK (0.55) LCKLYNSRCKDRINSR
SCHEMBL9967514 0.93 LCK (0.61) LCKLYNSRCKDRINSR
SCHEMBL9967466 0.92 LCK (0.46) LCKLYNSRCKDRINSR
SCHEMBL3590283 0.89 LCK (0.58) LCKLYNSRCKDRINSR
SCHEMBL13503127 0.89 LCK (0.49) LCKLYNSRCKDRINSR
SCHEMBL9967510 0.89 LCK (0.49) LCKLYNSRCKDRINSR
SCHEMBL3587322 0.88 LCK (0.58) LCKLYNSRCKDRINSR
SCHEMBL9967467 0.88 LCK (0.58) LCKLYNSRCKDRINSR
SCHEMBL3595899 0.88 LCK (0.61) LCKLYNSRCKDRINSR

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-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed