SCHEMBL7987540

SCHEMBL7987540

CN(C)CCCCCCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.46
FGFR1 P11362 6/20 0.39
KDR P35968 2/20 0.39
SRC P12931 4/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.36
MAP4K4 O95819 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL7982995 0.99 LCK (0.47) LCKFGFR1KDRSRCCCNT1
SCHEMBL7987033 0.97 LCK (0.49) LCKFGFR1KDRSRCCCNT1
SCHEMBL7979832 0.93 LCK (0.49) LCKFGFR1KDRSRC
SCHEMBL7979958 0.85 LCK (0.56) LCK
SCHEMBL7983677 0.83 FGFR1 (0.50) LCKFGFR1KDRSRC
SCHEMBL7969694 0.82 LCK (0.38) LCKCCNT1CDK9
SCHEMBL7980019 0.81 LCK (0.52) LCKFGFR1KDRSRC
SCHEMBL7969619 0.81 LCK (0.37) LCKCCNT1CDK9
SCHEMBL7983616 0.79 LCK (0.51) LCKFGFR1SRCCCNT1
SCHEMBL7983218 0.79 LCK (0.49) LCKFGFR1KDRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed