SCHEMBL7981128

SCHEMBL7981128

Cc1cccc(Cl)c1-c1ncc2c(N)nc3cc(NCCCN(C)C)ccc3n12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.54
WEE1 P30291 1/20 0.40
FGFR1 P11362 6/20 0.39
KDR P35968 3/20 0.39
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PIK3CD O00329 1/20 0.35
MAP4K4 O95819 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL7982930 0.97 LCK (0.51) LCKWEE1FGFR1KDRDRD3
SCHEMBL7983214 0.96 LCK (0.51) LCKWEE1FGFR1KDRDRD3
SCHEMBL7982709 0.95 LCK (0.53) LCKWEE1FGFR1KDRPIK3CD
SCHEMBL7987014 0.91 LCK (0.45) LCKWEE1FGFR1KDRSRC
SCHEMBL7979955 0.87 LCK (0.54) LCKFGFR1KDR
SCHEMBL7987029 0.86 LCK (0.45) LCKWEE1FGFR1KDRMAP4K4
SCHEMBL7983693 0.86 LCK (0.43) LCKFGFR1KDRSRC
SCHEMBL7983879 0.84 FGFR1 (0.55) LCKFGFR1KDRSRC
SCHEMBL7982991 0.83 LCK (0.43) LCKWEE1FGFR1KDRMAP4K4
SCHEMBL7987537 0.83 LCK (0.42) LCKWEE1FGFR1KDRMAP4K4

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