SCHEMBL7979832

SCHEMBL7979832

CN(C)CCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.49
FGFR1 P11362 3/20 0.35
KDR P35968 2/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
LYN P07948 1/20 0.34
BTK Q06187 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
SCHEMBL7987033 0.95 LCK (0.49) LCKFGFR1KDRSRC
SCHEMBL7982995 0.94 LCK (0.47) LCKFGFR1KDRSRC
SCHEMBL7987540 0.93 LCK (0.46) LCKFGFR1KDRSRC
SCHEMBL7979958 0.92 LCK (0.56) LCK
SCHEMBL7969694 0.85 LCK (0.38) LCK
SCHEMBL7969619 0.84 LCK (0.37) LCK
SCHEMBL7981100 0.83 LCK (0.58) LCK
SCHEMBL7983677 0.83 FGFR1 (0.50) LCKFGFR1KDRSRCFGFR2
SCHEMBL7983616 0.82 LCK (0.51) LCKFGFR1SRCFGFR2
SCHEMBL7970506 0.81 RAD52 (0.39) LCK

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
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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed