SCHEMBL7970141

SCHEMBL7970141

O=P(O)(O)c1ncn2c1c(Nc1ccccc1Br)nc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.56
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL7969727 0.88 LCK (0.67) LCKTP53KDM4EHPGDHSD17B10
SCHEMBL7983573 0.86 LCK (0.43) LCKTP53KDM4EHPGDALDH1A1
SCHEMBL7983262 0.86 LCK (0.41) LCKTP53KDM4EHPGDHSD17B10
SCHEMBL7980178 0.81 LCK (0.55) LCKTP53MAPT
SCHEMBL7979942 0.79 LCK (0.56) LCKTP53MAPTLMNAGAA
SCHEMBL7979987 0.79 LCK (0.58) LCKTP53KDM4EHPGDHSD17B10
SCHEMBL7979667 0.77 LCK (0.59) LCK
SCHEMBL7970045 0.74 LCK (0.53) LCKTP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL7983481 0.72 LCK (0.49) LCKTP53KDM4EHPGDHSD17B10
SCHEMBL7970605 0.69 KMT2A (0.42) LCKTP53HPGDALDH1A1MAPT

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 4 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-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 US disclosed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed