SCHEMBL13298084

SCHEMBL13298084

COC(=O)c1ccc(-c2cc(Nc3ccc(S(=O)(=O)N(C)C)cc3)n3nc(C)cc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40

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
SCHEMBL13298079 0.86 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL13298086 0.85 POLB (0.42) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
SCHEMBL13317615 0.84 POLB (0.41) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL13298153 0.80 KMT2A (0.48) L3MBTL1SMN1; SMN2LMNAMAPK1POLB
SCHEMBL13298080 0.79 JAK2 (0.52) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
SCHEMBL13298082 0.78 POLB (0.42) SMN1; SMN2LMNAPOLBKDM4EALDH1A1
SCHEMBL13298152 0.78 KMT2A (0.44) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL13298085 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL13298046 0.77 POLB (0.46) SMN1; SMN2LMNAPOLBALDH1A1CDK2
SCHEMBL13298148 0.77 GSK3B (0.42) SMN1; SMN2LMNAPOLBKDM4EALDH1A1

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
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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