SCHEMBL14219012

SCHEMBL14219012

CCC(O)c1cc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(NC)ncn3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.43
LYN P07948 17/20 0.43
SRC P12931 17/20 0.43
KDR P35968 17/20 0.43
HCK P08631 15/20 0.43
INSR P06213 15/20 0.43
BRAF P15056 2/20 0.40

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
SCHEMBL3587031 0.94 LCK (0.45) LCKLYNSRCKDRHCK
SCHEMBL3584140 0.92 LCK (0.43) LCKLYNSRCKDRHCK
SCHEMBL3597418 0.90 LCK (0.43) LCKLYNSRCKDRHCK
SCHEMBL3587058 0.90 LCK (0.43) LCKLYNSRCKDRHCK
SCHEMBL3587061 0.90 LCK (0.43) LCKLYNSRCKDRHCK
SCHEMBL3586894 0.89 LCK (0.42) LCKLYNSRCKDRHCK
SCHEMBL3586891 0.89 LCK (0.42) LCKLYNSRCKDRHCK
SCHEMBL3595960 0.89 LCK (0.42) LCKLYNSRCKDRHCK
SCHEMBL3584678 0.89 LCK (0.42) LCKLYNSRCKDRHCK
SCHEMBL3588725 0.89 LCK (0.42) LCKLYNSRCKDRHCK

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