SCHEMBL7983214

SCHEMBL7983214

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.51
FGFR1 P11362 5/20 0.42
KDR P35968 3/20 0.42
WEE1 P30291 1/20 0.37
SRC P12931 2/20 0.36
CDK9 P50750 1/20 0.35
DRD3 P35462 1/20 0.35
CCNT1 O60563 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EGFR P00533 1/20 0.33

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 0.99 LCK (0.51) LCKFGFR1KDRWEE1SRC
SCHEMBL7981128 0.96 LCK (0.54) LCKFGFR1KDRWEE1SRC
SCHEMBL7982709 0.93 LCK (0.53) LCKFGFR1KDRWEE1
SCHEMBL7987014 0.87 LCK (0.45) LCKFGFR1KDRWEE1SRC
SCHEMBL7987537 0.86 LCK (0.42) LCKFGFR1KDRWEE1SRC
SCHEMBL7979955 0.86 LCK (0.54) LCKFGFR1KDR
SCHEMBL7982991 0.85 LCK (0.43) LCKFGFR1KDRWEE1SRC
SCHEMBL7983693 0.84 LCK (0.43) LCKFGFR1KDRSRCEGFR
SCHEMBL7983879 0.83 FGFR1 (0.55) LCKFGFR1KDRSRCEGFR
SCHEMBL7987029 0.83 LCK (0.45) LCKFGFR1KDRWEE1CDK9

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