SCHEMBL7983663

SCHEMBL7983663

c1ccc(N2CCCCC2)c(Nc2nc3ccccc3n3cncc23)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.65
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7981586 0.88 KDM4E (0.71) LCKMAPTKDM4EALDH1A1HPGD
SCHEMBL7969559 0.82 LCK (0.69) LCKMAPTATMTDP1L3MBTL1
SCHEMBL7981437 0.81 LCK (0.69) LCK
SCHEMBL7984726 0.79 LCK (0.72) LCK
SCHEMBL7981902 0.79 LCK (1.00) LCK
SCHEMBL7979866 0.79 LCK (1.00) LCK
SCHEMBL7980124 0.79 LCK (0.65) LCK
SCHEMBL7969915 0.76 LCK (1.00) LCKMAPTKDM4E
SCHEMBL7969592 0.76 LCK (0.83) LCK
SCHEMBL7980299 0.76 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