SCHEMBL5773724

SCHEMBL5773724

Cc1nc(O)c2nc(-c3ccc(OC(F)(F)F)cc3)cc-2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
ACP1 P24666 1/20 0.41
PSD A5PKW4 1/20 0.39
SCN10A Q9Y5Y9 7/20 0.39
PDE2A O00408 5/20 0.39
SCN5A Q14524 2/20 0.39
PPARD Q03181 2/20 0.39
DHODH Q02127 1/20 0.39
KCNH2 Q12809 3/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5776830 0.85 PSD (0.41) ADORA3ACP1PSDSCN10APDE2A
SCHEMBL5773819 0.84 KDM4E (0.48) KDM4EGAAMAPTMAPK1
SCHEMBL5774514 0.81 MEN1 (0.44) ADORA3KDM4EGAAMAPT
SCHEMBL5774357 0.78 ADORA3 (0.48) ADORA3KDM4EMAPT
SCHEMBL8130971 0.78 POLB (0.44) SCN9A
SCHEMBL5774438 0.75 XDH (0.47) SCN2AKDM4EMAPT
SCHEMBL5773790 0.69 KDM4E (0.48) KDM4EGAAMAPTMAPK1
SCHEMBL17518813 0.68 SCN5A (0.47) ADORA3ACP1PSDSCN10ASCN5A
SCHEMBL19782798 0.68 CXCL12 (0.64) ADORA3KDM4E
SCHEMBL5773718 0.68 NPY5R (0.46) SCN10ASCN5AKCNH2SCN1ASCN9A

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
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