SCHEMBL7981952

SCHEMBL7981952

COCCCNc1nc2ccccc2n2cncc12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.71
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 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
SCHEMBL7983684 0.85 LCK (0.83) LCK
SCHEMBL7983608 0.84 LCK (0.81) LCK
SCHEMBL7969596 0.83 LCK (1.00) LCK
SCHEMBL7981429 0.80 LCK (0.74) LCK
SCHEMBL7983557 0.77 LCK (0.70) LCK
SCHEMBL31500073 0.76 LCK (0.61) LCKKDM4EALDH1A1POLB
SCHEMBL7981693 0.76 LCK (0.66) LCKALDH1A1POLB
SCHEMBL7980641 0.76 LCK (0.67) LCKKDM4EALDH1A1
SCHEMBL7986755 0.75 LCK (0.63) LCKKDM4E
SCHEMBL7983552 0.75 LCK (0.67) LCKKDM4E

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