SCHEMBL5772960

SCHEMBL5772960

Cc1nc(C(C)C)nc(O)c1NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
P2RX3 P56373 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
LCK P06239 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.82 NPC1 (0.50) KMT2ALMNAP2RX3RAB9ANPC1
SCHEMBL5773133 0.75 KDM4E (0.51) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL11004845 0.71 TP53 (0.46) KMT2ALMNAP2RX3RAB9ANPC1
SCHEMBL653766 0.71 KMT2A (0.51) KMT2ALMNARAB9ANPC1GAA
SCHEMBL5771744 0.71 MAPT (0.53) KMT2ALMNARAB9ANPC1GAA
SCHEMBL15219300 0.70 KMT2A (0.54) KMT2ALMNARAB9ANPC1PKM
SCHEMBL21657110 0.70 NPC1 (0.69) KMT2ALMNARAB9ANPC1PKM
SCHEMBL4315481 0.69 LMNA (1.00) KMT2ALMNAGAAHTTSMN1; SMN2
Iodide SCHEMBL30758614 0.68 LMNA (0.97) KMT2ALMNAGAAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL28857355 0.68 LMNA (0.97) KMT2ALMNAGAAHTTSMN1; SMN2

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