SCHEMBL14547481

SCHEMBL14547481

C=C(Nc1cc(-c2cccc(C(=O)NC3CC3)c2)c2c([nH]c3ncc(C)cc32)c1OC)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
EPHB6 O15197 1/20 0.48
RPS6KA4 O75676 1/20 0.48
STK16 O75716 1/20 0.48
STK10 O94804 1/20 0.48
EGFR P00533 1/20 0.48
NTRK1 P04629 1/20 0.48
YES1 P07947 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
HCK P08631 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 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
SCHEMBL645644 0.92 ABL1 (0.47) ABL1LCKFYNPLK4CHEK1
SCHEMBL647217 0.85 FYN (0.50) ABL1LCKFYNPLK4CHEK1
SCHEMBL646327 0.81 LCK (0.50) ABL1LCKFYNPLK4CHEK1
SCHEMBL645312 0.79 LCK (0.53) ABL1LCKFYNPLK4CHEK1
SCHEMBL10287702 0.78 ABL1 (0.41) ABL1LCKFYNPLK4CHEK1
SCHEMBL2612672 0.77 LCK (0.51) ABL1LCKFYNPLK4CHEK1
SCHEMBL14547650 0.77 LCK (0.54) ABL1LCKFYNPLK4CHEK1
SCHEMBL645163 0.76 ACVR1 (0.78) ABL1LCKFYNPLK4CHEK1
SCHEMBL645629 0.76 ABL1 (0.58) ABL1LCKFYNPLK4CHEK1
SCHEMBL644408 0.74 FYN (0.60) ABL1LCKFYNPLK4CHEK1

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-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed