SCHEMBL5025314

SCHEMBL5025314

Clc1cc(Nc2ccc(Br)cc2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
MKNK1 Q9BUB5 1/20 0.49
EGFR P00533 6/20 0.49
ERBB3 P21860 3/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SCN9A Q15858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.44
KMO O15229 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41

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
SCHEMBL2283204 0.85 NPC1 (0.68) NPC1MKNK1EGFRERBB3MEN1
Hydrochloric Acid SCHEMBL2176150 0.84 NPC1 (0.66) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL5674223 0.82 NPC1 (0.64) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL22328022 0.82 NPC1 (0.64) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL4663995 0.82 NPC1 (0.64) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL28805101 0.82 NPC1 (0.69) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL12487147 0.82 NPC1 (0.64) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL857502 0.81 NPC1 (0.63) NPC1MKNK1EGFRERBB3MEN1
SCHEMBL691533 0.81 EGFR (0.57) NPC1EGFRERBB3
Hydrochloric Acid SCHEMBL2176643 0.80 NPC1 (0.61) NPC1MKNK1EGFRERBB3MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
EP-1107958-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-16 EP disclosed
US-6632820-B1 Anticancer agents ASTRAZENECA AB (SE) 2003-10-14 US disclosed
EP-1107958-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012486-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed