SCHEMBL7981496

SCHEMBL7981496

Cc1cccc(Cl)c1-c1c(OCCN2CCOCC2)c(NCCCCN(C)C)cc2c1nc(N)c1cncn12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.47
PDPK1 O15530 2/20 0.40
SRC P12931 5/20 0.39
FGFR1 P11362 4/20 0.39
POLB P06746 1/20 0.38
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL7983395 0.98 LCK (0.47) LCKPDPK1SRCFGFR1POLB
SCHEMBL7981212 0.95 LCK (0.48) LCKPDPK1SRCPOLB
SCHEMBL7987022 0.93 LCK (0.52) LCKPDPK1SRCFGFR1POLB
SCHEMBL7982990 0.86 LCK (0.55) LCKPDPK1SRCFGFR1POLB
SCHEMBL7982931 0.80 LCK (0.49) LCKFGFR1
SCHEMBL7983218 0.79 LCK (0.49) LCKSRCFGFR1
SCHEMBL7981130 0.78 LCK (0.52) LCK
SCHEMBL7983212 0.77 LCK (0.60) LCKSRCFGFR1FGFR2FGFR4
SCHEMBL8471254 0.77 LCK (0.74) LCK
SCHEMBL7984582 0.76 LCK (0.61) LCKPDPK1SRCPOLB

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