SCHEMBL5772009

SCHEMBL5772009

Cc1nc(N2CCCCC2)c2sc(C(C)(C)C)cc2n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPY5R Q15761 16/20 0.60
SMN1; SMN2 Q16637 1/20 0.46
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41

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
Hydrochloric Acid SCHEMBL5773195 0.99 MEN1 (0.65) MEN1KMT2ANPY5RSMN1; SMN2PIK3CA
SCHEMBL12105217 0.78 CHRM4 (0.42) MEN1KMT2ANPY5RPIK3CAMTOR
SCHEMBL12994831 0.77 PIK3CA (0.65) MEN1KMT2ANPY5RPIK3CAMTOR
SCHEMBL5773316 0.75 NPY5R (1.00) MEN1KMT2ANPY5RSMN1; SMN2
Hydrochloric Acid SCHEMBL5774363 0.74 NPY5R (0.97) MEN1KMT2ANPY5RSMN1; SMN2
SCHEMBL5771955 0.74 MEN1 (0.51) MEN1KMT2ANPY5RSMN1; SMN2
SCHEMBL12105218 0.74 PDPK1 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL602251 0.73 HRH4 (0.50) MEN1KMT2APIK3CAMTOR
Hydrochloric Acid SCHEMBL5776500 0.73 MEN1 (0.50) MEN1KMT2ANPY5RSMN1; SMN2
SCHEMBL5772334 0.73 NPY5R (0.78) MEN1KMT2ANPY5RSMN1; 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 6 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 claimed
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