SCHEMBL13298010

SCHEMBL13298010

Cc1cc2nc(C3CCCCC3)cc(Cl)n2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 1/20 0.37
▸ PSD A5PKW4 2/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MRGPRX2 Q96LB1 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ CTSK P43235 3/20 0.34
▸ HRH4 Q9H3N8 3/20 0.34
▸ CTSS P25774 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL13896433 0.77 PDE10A (0.40) KDM4ETP53PSDNPC1RAB9A
SCHEMBL24695991 0.76 HPGD (0.42) KDM4ENPC1RAB9A
SCHEMBL24695811 0.76 HPGD (0.42) KDM4ENPC1RAB9A
SCHEMBL5056012 0.75 RAB9A (0.44) KDM4ENPC1RAB9A
SCHEMBL544920 0.75 RAB9A (0.45) KDM4ETP53NPC1RAB9A
SCHEMBL22175826 0.74 HRH4 (0.34) HRH4
SCHEMBL5466448 0.74 PDE10A (0.56) TP53PSDMAPK8BTKMRGPRX2
SCHEMBL13305063 0.74 PSD (0.40) KDM4EPSDNPC1RAB9ATLR8
SCHEMBL1934522 0.73 PDE10A (0.48) KDM4ETP53NPC1RAB9APDE10A
SCHEMBL22176506 0.72 GAA (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 — — US disclosed
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 — — US disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 — — EP disclosed
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