SCHEMBL5770748

SCHEMBL5770748

Cc1ccc(-c2cc3[nH]c(C)nc(O)c-3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ADORA3 P0DMS8 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX15 P16050 1/20 0.37
GSK3B P49841 1/20 0.36
CDC7 O00311 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPL P05186 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
SCHEMBL5774514 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9AADORA3
SCHEMBL5773383 0.88 CXCL12 (0.41) MEN1KMT2ANPC1RAB9AADORA3
SCHEMBL5774357 0.88 ADORA3 (0.48) MEN1KMT2ARAB9AADORA3KDM4E
SCHEMBL5773819 0.85 KDM4E (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5775574 0.82 KMO (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5775897 0.81 MEN1 (0.45) MEN1KMT2ANPC1RAB9AADORA3
SCHEMBL5773724 0.81 ADORA3 (0.44) ADORA3KDM4EMAPT
SCHEMBL5774961 0.79 MGAM (0.43) ADORA3CDC7
SCHEMBL5775086 0.76 NPY5R (0.37) MEN1KMT2ANPC1RAB9AADORA3
SCHEMBL5774438 0.76 XDH (0.47) MEN1KMT2AKDM4EALDH1A1MAPT

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