SCHEMBL5773791

SCHEMBL5773791

NCCCCCCCNc1nc(C2CCNC(c3ccccc3)C2)c2nccc-2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.30
PTPN11 Q06124 3/20 0.30
STK17A Q9UEE5 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL5774286 0.99 STK17A (0.30) PTPN11STK17A
Hydrochloric Acid SCHEMBL5776452 0.98
Hydrochloric Acid SCHEMBL5775437 0.97
SCHEMBL7959871 0.88 KDM4E (0.35) PTPN11
Hydrochloric Acid SCHEMBL5773960 0.87 KDM4E (0.34) PTPN11
SCHEMBL5776304 0.83 PRCP (0.32)
SCHEMBL5771094 0.82 PARP1 (0.31)
Hydrochloric Acid SCHEMBL7182724 0.81 PARP1 (0.30)
Hydrochloric Acid SCHEMBL5775517 0.81 MMP12 (0.32)
Hydrochloric Acid SCHEMBL8125138 0.79

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 2 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
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 claimed