SCHEMBL27481128

SCHEMBL27481128

O=C(O)Nc1cnc(-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.53
NPY5R Q15761 11/20 0.49
LDHA P00338 2/20 0.47
TPH1 P17752 1/20 0.47
BAZ2B Q9UIF8 1/20 0.45
IKBKB O14920 1/20 0.44
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43

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
SCHEMBL12134899 0.86 ADORA1 (0.56) WNT3ANPY5RTPH1BAZ2B
SCHEMBL27483688 0.86 WNT3A (0.45) WNT3ANPY5RTPH1PRKDCATR
SCHEMBL15214054 0.85 ADORA1 (0.59)
SCHEMBL27497340 0.84 HSD17B1 (0.65) WNT3APRKDCATR
SCHEMBL18132572 0.81 MEN1 (0.57) WNT3ANPY5RLDHA
SCHEMBL1009480 0.81 CCNE1 (0.45) WNT3ANPY5RTPH1
SCHEMBL9951791 0.81 ADORA3 (0.46) WNT3A
SCHEMBL11521631 0.78 WNT3A (0.45) WNT3ANPY5RLDHATPH1BAZ2B
SCHEMBL25491310 0.77 ADORA1 (0.58) WNT3A
SCHEMBL4876684 0.76 DEGS1 (0.58) WNT3A

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
CN-100457757-C Novel spiro compounds BANYU PHARMA CO LTD (JP) 2009-02-04 CN disclosed
CN-1640877-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2005-07-20 CN disclosed
CN-1202108-C Spiro compounds, processes and intermediates BANYU PHARMA CO LTD (JP) 2005-05-18 CN disclosed
CN-1370168-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2002-09-18 CN disclosed