SCHEMBL7970045

SCHEMBL7970045

CC(C)(C)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1c(P(=O)(O)O)ncn12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.53
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LYN P07948 2/20 0.36
BTK Q06187 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ULK1 O75385 1/20 0.34
PTK2 Q05397 1/20 0.34
POLB P06746 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
IGF1R P08069 1/20 0.33
TP53 P04637 1/20 0.33

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 0.90 LCK (0.41) LCKMAPTNPC1ALDH1A1POLB
SCHEMBL7969727 0.86 LCK (0.67) LCKMAPTNPC1ALDH1A1CSNK2A2
SCHEMBL7981479 0.83 LCK (0.35) LCKMAPTNPC1RAB9AALDH1A1
SCHEMBL7969544 0.83 LCK (0.40) LCK
SCHEMBL7981071 0.82 LCK (0.41) LCKMAPTNPC1RAB9AALDH1A1
SCHEMBL7969561 0.81 LCK (0.41) LCKMAPTTP53
SCHEMBL7983573 0.79 LCK (0.43) LCKMAPTNPC1RAB9AALDH1A1
SCHEMBL7970482 0.77 LCK (0.69) LCKLYNBTK
SCHEMBL7979950 0.76 LCK (0.52) LCK
SCHEMBL7970114 0.75 LCK (0.48) LCKMAPTALDH1A1SMN1; SMN2TP53

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