SCHEMBL5771744

SCHEMBL5771744

Cc1ccc(C(=O)Nc2c(C)nc(C)nc2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL5774297 0.88 NPC1 (0.50) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL654802 0.79 KDM4E (0.51) MAPTRAB9ANPC1KMT2AGAA
SCHEMBL822333 0.75 RAB9A (0.58) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5774866 0.74 KMT2A (0.39) MAPTRAB9AALDH1A1KMT2AGAA
SCHEMBL11004845 0.73 TP53 (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5773133 0.71 KDM4E (0.51) SMN1; SMN2ALDH1A1KMT2AHTTTP53
SCHEMBL5772960 0.71 KMT2A (0.52) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9523014 0.69 S1PR4 (0.69) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12250622 0.68 RXFP1 (0.71) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL822378 0.68 RAB9A (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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