SCHEMBL7981586

SCHEMBL7981586

c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cncc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
MAPK1 P28482 2/20 0.71
KMT2A Q03164 2/20 0.71
HTT P42858 1/20 0.71
LCK P06239 18/20 0.62
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55

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
SCHEMBL7983663 0.88 LCK (0.65) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL7970505 0.84 LCK (0.67) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL7981437 0.80 LCK (0.69) LCK
SCHEMBL7970094 0.80 LCK (0.57) LCK
SCHEMBL7970020 0.78 POLB (0.62) KDM4EMAPTHPGDKMT2ALCK
SCHEMBL7984726 0.77 LCK (0.72) LCK
SCHEMBL7979866 0.77 LCK (1.00) LCK
SCHEMBL7981902 0.77 LCK (1.00) LCK
SCHEMBL7980124 0.77 LCK (0.65) LCK
SCHEMBL7980299 0.74 LCK (0.75) 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