SCHEMBL6606724

SCHEMBL6606724

CCCc1cccc(CCC)c1NC(=O)c1cnc(Nc2cc(C)nc(C)n2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.68
ABL1 P00519 9/20 0.68
SRC P12931 6/20 0.68
BCR P11274 5/20 0.68
EGFR P00533 3/20 0.68
FYN P06241 3/20 0.68
YES1 P07947 3/20 0.68
LYN P07948 3/20 0.68
HCK P08631 3/20 0.68
KIT P10721 3/20 0.68
MAPK14 Q16539 3/20 0.68
MAPK13 O15264 2/20 0.68
ERBB2 P04626 2/20 0.68
FGR P09769 2/20 0.68
JAK3 P52333 2/20 0.68
MAPK12 P53778 2/20 0.68
MAPK11 Q15759 2/20 0.68
SIK1 P57059 3/20 0.51
SIK2 Q9H0K1 3/20 0.51
SIK3 Q9Y2K2 3/20 0.51

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
SCHEMBL20633186 0.86 LCK (0.86) LCKABL1SRCBCREGFR
SCHEMBL774475 0.82 LCK (0.71) LCKABL1SRCBCREGFR
SCHEMBL31060141 0.81 LCK (1.00) LCKABL1SRCBCREGFR
SCHEMBL774220 0.81 LCK (1.00) LCKABL1SRCBCREGFR
SCHEMBL15101028 0.81 LCK (0.63) LCKABL1SRCBCREGFR
SCHEMBL27768520 0.80 LCK (0.61) LCKABL1SRCBCREGFR
SCHEMBL774309 0.80 LCK (1.00) LCKABL1SRCBCREGFR
SCHEMBL774835 0.80 LCK (0.69) LCKABL1SRCBCREGFR
SCHEMBL24686329 0.79 LCK (0.77) LCKABL1SRCBCREGFR
SCHEMBL774847 0.79 LCK (0.71) LCKABL1SRCBCREGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO claimed