SCHEMBL7981479

SCHEMBL7981479

Cc1ccc(Nc2nc3cc(C(C)(C)C)ccc3n3cnc(P(=O)(O)O)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.35
THRB P10828 1/20 0.35
CSNK1D P48730 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.33
SYK P43405 1/20 0.33
LMNA P02545 3/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP3K5 Q99683 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7969561 0.89 LCK (0.41) LCKLMNAMAPTGAA
SCHEMBL7979769 0.88 LCK (0.39) LCKTHRBPOLBNPC1MAPT
SCHEMBL7983034 0.85 LCK (0.40) LCKTHRBPOLBNPC1RAB9A
SCHEMBL7969544 0.85 LCK (0.40) LCKKMT2A
SCHEMBL7983262 0.84 LCK (0.41) LCKPOLBNPC1MAPTKDM4E
SCHEMBL7970045 0.83 LCK (0.53) LCKPOLBNPC1MAPTALDH1A1
SCHEMBL7970605 0.82 KMT2A (0.42) LCKTHRBPOLBNPC1MAPT
SCHEMBL7981071 0.76 LCK (0.41) LCKNPC1MAPTKDM4EALDH1A1
SCHEMBL7982142 0.76 LCK (0.41) LCKLMNAMAPTGAA
SCHEMBL7981457 0.75 LMNA (0.38) LCKTHRBPOLBNPC1LMNA

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