SCHEMBL7981071

SCHEMBL7981071

CC(C)(C)c1ccc2nc(Nc3ccccc3Br)c3c(P(=O)(O)O)ncn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.41
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
EGFR P00533 1/20 0.32
NPM1 P06748 1/20 0.32
ALK Q9UM73 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK8 P45983 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7983262 0.92 LCK (0.41) LCKTP53MAPTRAF1BRAF
SCHEMBL7970141 0.86 LCK (0.56) LCKTP53MAPTALDH1A1KDM4E
SCHEMBL7983573 0.83 LCK (0.43) LCKTP53MAPTMEN1KMT2A
SCHEMBL7970045 0.82 LCK (0.53) LCKTP53MAPTNPC1RAB9A
SCHEMBL7981479 0.76 LCK (0.35) LCKMAPTMEN1KMT2ANPC1
SCHEMBL7969544 0.76 LCK (0.40) LCKKMT2A
SCHEMBL7969727 0.74 LCK (0.67) LCKTP53MAPTMEN1KMT2A
SCHEMBL7969561 0.74 LCK (0.41) LCKTP53MAPT
SCHEMBL7979942 0.71 LCK (0.56) LCKTP53MAPTKMT2ANPC1
SCHEMBL7980178 0.70 LCK (0.55) LCKTP53MAPTKMT2A

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