SCHEMBL7983573

SCHEMBL7983573

O=P(O)(O)c1ncn2c1c(Nc1ccccc1Br)nc1cc(Cl)c(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.43
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MAPT P10636 4/20 0.36
LRRK2 Q5S007 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
LYN P07948 2/20 0.34
BTK Q06187 2/20 0.34
PTPN1 P18031 1/20 0.34

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 0.86 LCK (0.56) LCKMAPTKDM4EALDH1A1GAA
SCHEMBL7983262 0.83 LCK (0.41) LCKMAPTNPC1KDM4EALDH1A1
SCHEMBL7969727 0.81 LCK (0.67) LCKMAPTNPC1KDM4EMEN1
SCHEMBL7970045 0.79 LCK (0.53) LCKMAPTNPC1ALDH1A1GLA
SCHEMBL7983562 0.78 LCK (0.39) LCKMMP1MMP2MMP3MAPT
SCHEMBL7970605 0.71 KMT2A (0.42) LCKMAPTNPC1MEN1ALDH1A1
SCHEMBL7979769 0.71 LCK (0.39) LCKMAPTNPC1MEN1ALDH1A1
SCHEMBL7979667 0.71 LCK (0.59) LCK
SCHEMBL7980350 0.71 LCK (0.45) LCK
SCHEMBL7979950 0.71 LCK (0.52) LCK

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