SCHEMBL7969596

SCHEMBL7969596

CCCNc1nc2ccccc2n2cncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 1.00
TOP2A P11388 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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 0.91 LCK (0.83) LCKTOP2A
SCHEMBL7983608 0.90 LCK (0.81) LCKTOP2A
SCHEMBL7981429 0.85 LCK (0.74) LCK
SCHEMBL7981952 0.83 LCK (0.71) LCK
SCHEMBL7983557 0.82 LCK (0.70) LCK
SCHEMBL7980641 0.81 LCK (0.67) LCK
SCHEMBL7983552 0.80 LCK (0.67) LCK
SCHEMBL7980293 0.80 LCK (0.66) LCK
SCHEMBL7984444 0.79 LCK (0.65) LCK
SCHEMBL7981593 0.78 LCK (0.62) 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