SCHEMBL7983240

SCHEMBL7983240

Cc1cccc(Cl)c1-c1ncc2c(N)nc3ccc(NC4CCCC4)cc3n12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.43
PDE10A Q9Y233 2/20 0.43
FGFR1 P11362 1/20 0.38
LCK P06239 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRM1 Q13255 1/20 0.33
KMT2A Q03164 1/20 0.33
GFER P55789 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
SCHEMBL7983712 0.89 PDE2A (0.39) PDE2APDE10AFGFR1LCKABL1
SCHEMBL7969906 0.85 LCK (0.37) PDE2ALCKKMT2A
SCHEMBL7983558 0.85 LCK (0.39) PDE2AFGFR1LCK
SCHEMBL7984047 0.84 LCK (0.37) PDE2AFGFR1LCKMAPK14
SCHEMBL7970474 0.84 LCK (0.39) PDE2APDE10AFGFR1LCKABL1
SCHEMBL7983062 0.82 LCK (0.50) PDE2AFGFR1LCK
SCHEMBL7982210 0.82 MAP3K8 (0.42) FGFR1LCKALDH1A1KDM4EABL1
SCHEMBL7983002 0.81 LCK (0.46) PDE2AFGFR1LCKKMT2A
SCHEMBL7980189 0.80 CAMK2D (0.44) FGFR1LCKKMT2AGFER
SCHEMBL7980082 0.80 ROCK2 (0.45)

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