SCHEMBL7969561

SCHEMBL7969561

Cc1cc(C)c(Nc2nc3cc(C(C)(C)C)ccc3n3cnc(P(=O)(O)O)c23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.41
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CRHR1 P34998 1/20 0.32

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
SCHEMBL7969544 0.92 LCK (0.40) LCKSRC
SCHEMBL7981479 0.89 LCK (0.35) LCKMAPTLMNAGAA
SCHEMBL7982142 0.87 LCK (0.41) LCKTP53MAPTSRCLMNA
SCHEMBL7979942 0.86 LCK (0.56) LCKTP53MAPTSRCLMNA
SCHEMBL7983562 0.83 LCK (0.39) LCKTP53MAPT
SCHEMBL7983262 0.82 LCK (0.41) LCKTP53MAPT
SCHEMBL7980759 0.81 LCK (0.41) LCKTP53MAPTSRC
SCHEMBL7970045 0.81 LCK (0.53) LCKTP53MAPT
SCHEMBL7980350 0.79 LCK (0.45) LCK
SCHEMBL7980178 0.77 LCK (0.55) LCKTP53MAPTSRC

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