SCHEMBL5772706

SCHEMBL5772706

Cc1nc(Cl)c2nc(-c3ccc(Cl)cc3)cc-2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
MCL1 Q07820 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CXCL12 P48061 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PSD A5PKW4 1/20 0.37
GSK3B P49841 1/20 0.36
CNR1 P21554 1/20 0.36

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 0.91 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5772074 0.88 RAD51 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5774543 0.88 ADORA1 (0.48) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL5773790 0.85 KDM4E (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5773383 0.85 CXCL12 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5772572 0.85 KMO (0.43) KMT2ANPC1RAB9AMAPT
SCHEMBL5773374 0.84 MGAM (0.45) MGAMGAASIMGAM2
SCHEMBL5772874 0.82 KDM4E (0.47) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL5776830 0.81 PSD (0.41) MAPTMAPK1GAAPSD
SCHEMBL5772068 0.76 XDH (0.47) MEN1KMT2ANPC1RAB9AMAPT

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