SCHEMBL7969727

SCHEMBL7969727

O=P(O)(O)c1ncn2c1c(Nc1ccccc1Cl)nc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.67
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL7970141 0.88 LCK (0.56) LCKMAPTTP53KDM4EALDH1A1
SCHEMBL7970045 0.86 LCK (0.53) LCKNPC1MAPTTP53CSNK2A2
SCHEMBL7979667 0.84 LCK (0.59) LCK
SCHEMBL7983573 0.81 LCK (0.43) LCKNPC1MAPTKMT2ATP53
SCHEMBL7987230 0.80 LCK (1.00) LCKNPC1MAPTKMT2ATP53
SCHEMBL7980178 0.80 LCK (0.55) LCKMAPTKMT2ATP53
SCHEMBL7979942 0.78 LCK (0.56) LCKNPC1MAPTKMT2ATP53
SCHEMBL7983262 0.74 LCK (0.41) LCKNPC1MAPTTP53KDM4E
SCHEMBL7979950 0.74 LCK (0.52) LCK
SCHEMBL7970605 0.72 KMT2A (0.42) LCKNPC1MAPTKMT2ATP53

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