SCHEMBL7417530

SCHEMBL7417530

CN1CC(c2nc3c[nH]nc3c(=O)[nH]2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ ERCC1 P07992 1/20 0.31
▸ ERCC4 Q92889 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ DRD5 P21918 1/20 0.30
▸ HRH4 Q9H3N8 2/20 0.30
▸ HTR3A P46098 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
SCHEMBL14281548 0.70 PARP1 (0.46) GAAPARP1MAPTGLALMNA
SCHEMBL18781842 0.68 HTR2B (0.56) PKMGAAHTR2BLMNAHRH4
SCHEMBL19236511 0.66 MITF (0.47) MAPTGLALMNA
SCHEMBL7379913 0.66 TNKS2 (0.50) GAAPARP1MAPTGLA
SCHEMBL22118823 0.63 KDM4E (0.42) PKMMAPTLMNA
SCHEMBL22118927 0.62 ADORA3 (0.33) PKMGAA
SCHEMBL7420122 0.62 CACNA1H (0.37) PKMGAAPARP1MAPTLMNA
SCHEMBL5799688 0.61 TNKS (0.58) GAAPARP1MAPT
SCHEMBL7422513 0.60 ADORA3 (0.33) GAA
SCHEMBL17008876 0.59 HTR1D (0.37) HRH4

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-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 — — EP claimed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 — — WO claimed
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