SCHEMBL4931040

SCHEMBL4931040

c1ccc(Nc2nc3ccccc3n3cncc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 1.00
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL7969645 0.92 LCK (0.84) LCK
SCHEMBL7969769 0.91 LCK (0.84) LCKLMNAHPGDMAPK1SMN1; SMN2
SCHEMBL7970845 0.89 LCK (0.80) LCK
SCHEMBL7980870 0.89 LCK (1.00) LCK
SCHEMBL7981428 0.89 LCK (0.80) LCK
SCHEMBL7981168 0.88 LCK (0.78) LCKSMN1; SMN2
SCHEMBL7969972 0.88 LCK (0.78) LCK
SCHEMBL7980932 0.86 LCK (0.74) LCK
SCHEMBL7980236 0.85 LCK (0.74) LCK
SCHEMBL7983596 0.85 LCK (0.74) 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 5 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
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
WO-2008041264-A1 ISOINDOLO-QUINOXALINE DERIVATIVES HAVING ANTITUMOR ACTIVITY, PROCESS FOR THEIR PRODUCTION AND THEIR USE UNIVERSITA' DEGLI STUDI DI PALERMO (IT) 2008-04-10 WO disclosed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed