SCHEMBL7969915

SCHEMBL7969915

COc1ccccc1Nc1nc2ccccc2n2cncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 1.00
KDM4E B2RXH2 2/20 0.67
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL7980203 0.91 LCK (0.83) LCKKDM4E
SCHEMBL7970006 0.88 LCK (0.78) LCK
SCHEMBL7970028 0.87 LCK (0.77) LCKKDM4EMAPT
SCHEMBL7983440 0.85 LCK (0.74) LCKKDM4E
SCHEMBL7987162 0.84 LCK (0.73) LCKKDM4E
SCHEMBL7983808 0.83 LCK (0.80) LCK
SCHEMBL7969867 0.82 LCK (0.69) LCKMAPT
SCHEMBL7984726 0.81 LCK (0.72) LCK
SCHEMBL7979866 0.81 LCK (1.00) LCK
SCHEMBL7981902 0.81 LCK (1.00) 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