SCHEMBL6258232

SCHEMBL6258232

Nc1cc(N2CCCC2)nc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.47
HRH4 Q9H3N8 2/20 0.47
PIK3CA P42336 1/20 0.47
MAP3K12 Q12852 1/20 0.47
CTSK P43235 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CB P42338 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL3287154 0.94 MAPT (0.61) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL13779832 0.88 HRH4 (0.57) CRHBPCRHR2MAPTCYP1A2KMT2A
SCHEMBL14024999 0.85 MAPT (0.56) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL3634900 0.84 HRH4 (0.61) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL908493 0.82 MAPT (0.71) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL3637243 0.82 CYP1A2 (0.49) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL23299953 0.80 KMT2A (0.56) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL15938813 0.80 CYP2C19 (0.56) CRHBPCRHR2MAPTCYP1A2CYP2D6
SCHEMBL9640988 0.79 KMT2A (0.69) KMT2AMEN1HTTHRH4PIK3CA
SCHEMBL9640164 0.79 KMT2A (0.69) KMT2AMEN1HTTHRH4PIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546129-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT Pharmacia Italia S.p.A. (IT) 2005-06-29 EP claimed
WO-2004024711-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT PHARMACIA ITALIA S.P.A. (IT) 2004-03-25 WO claimed
EP-1546129-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT Pharmacia Italia S.p.A. (IT) 2005-06-29 EP disclosed
WO-2004024711-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT PHARMACIA ITALIA S.P.A. (IT) 2004-03-25 WO disclosed