SCHEMBL9970880

SCHEMBL9970880

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cc(C(=O)N2CCC(N(C)C)C2)nn1-c1cc(NC2CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.56
SRC P12931 16/20 0.56
LYN P07948 15/20 0.56
KDR P35968 15/20 0.56
INSR P06213 14/20 0.56
HCK P08631 13/20 0.56
BTK Q06187 1/20 0.45
BRAF P15056 2/20 0.44
MAPK14 Q16539 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL3586049 1.00 LCK (0.56) LCKSRCLYNKDRINSR
SCHEMBL9967472 0.92 LYN (0.47) LCKSRCLYNKDRINSR
SCHEMBL3590283 0.89 LCK (0.58) LCKSRCLYNKDRINSR
SCHEMBL3589676 0.88 SRC (0.61) LCKSRCLYNKDRINSR
SCHEMBL3585481 0.88 SRC (0.63) LCKSRCLYNKDRINSR
SCHEMBL3594776 0.87 SRC (0.64) LCKSRCLYNKDRINSR
SCHEMBL3594784 0.87 SRC (0.63) LCKSRCLYNKDRINSR
SCHEMBL9967467 0.86 LCK (0.58) LCKSRCLYNKDRINSR
SCHEMBL3591712 0.85 LCK (0.66) LCKSRCLYNKDRINSR
SCHEMBL3591827 0.85 SRC (0.61) LCKSRCLYNKDRINSR

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
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed