SCHEMBL5773790

SCHEMBL5773790

COc1ccc(-c2cc3[nH]c(C)nc(Cl)c-3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
DYRK1A Q13627 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 2/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
JAK2 O60674 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL5775897 0.85 MEN1 (0.45) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL5772706 0.85 MEN1 (0.40) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL5776830 0.84 PSD (0.41) KDM4EMAPTMAPK1GAA
SCHEMBL5773819 0.83 KDM4E (0.48) KDM4ERAB9ANPC1MAPTMAPK1
SCHEMBL5772074 0.83 RAD51 (0.41) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL5774543 0.82 ADORA1 (0.48) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL5774390 0.81 KDM4E (0.59) KDM4ERAB9ANPC1MAPTMAPK1
SCHEMBL5772572 0.80 KMO (0.43) RAB9ANPC1MAPTKMT2A
SCHEMBL5773374 0.76 MGAM (0.45) KDRGAA
SCHEMBL5773383 0.71 CXCL12 (0.41) RAB9ANPC1MAPTMAPK1MEN1

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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed