SCHEMBL5774286

SCHEMBL5774286

NCCCCNc1nc(C2CCNC(c3ccccc3)C2)c2nccc-2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.30
PTPN11 Q06124 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
PIM1 P11309 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
SCHEMBL5773791 0.99 ACHE (0.30) STK17APTPN11
Hydrochloric Acid SCHEMBL5775437 0.98
Hydrochloric Acid SCHEMBL5776452 0.97
SCHEMBL7959871 0.89 KDM4E (0.35) PTPN11MEN1KMT2ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL5773960 0.88 KDM4E (0.34) PTPN11MEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL5776304 0.83 PRCP (0.32)
SCHEMBL5771094 0.83 PARP1 (0.31)
Hydrochloric Acid SCHEMBL7182724 0.82 PARP1 (0.30)
Hydrochloric Acid SCHEMBL5775517 0.82 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