SCHEMBL7981469

SCHEMBL7981469

Cc1ccc(Nc2nc3ccccc3n3cncc23)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 1.00
NPC1 O15118 1/20 0.69

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
SCHEMBL7979597 0.91 LCK (0.83) LCKNPC1
SCHEMBL7982979 0.88 LCK (0.79) LCKNPC1
SCHEMBL7982170 0.88 LCK (0.79) LCKNPC1
SCHEMBL7983627 0.86 LCK (0.76) LCKNPC1
SCHEMBL7969689 0.86 LCK (0.75) LCK
SCHEMBL7980239 0.85 LCK (0.74) LCKNPC1
SCHEMBL7979866 0.85 LCK (1.00) LCK
SCHEMBL7970071 0.84 LCK (0.72) LCK
SCHEMBL7983397 0.83 LCK (0.71) LCKNPC1
SCHEMBL7987291 0.83 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