SCHEMBL14014391

SCHEMBL14014391

N#Cc1cnn2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccccc3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
CLK4 Q9HAZ1 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
GSTP1 P09211 2/20 0.42
PIM1 P11309 1/20 0.42
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 2/20 0.41

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
SCHEMBL4709978 1.00 GRM2 (0.48) GRM2KDM4EALDH1A1HPGDCLK4
SCHEMBL4709053 0.88 KDM4E (0.50) GRM2KDM4EMAOBFFAR1
SCHEMBL4708598 0.87 KDM4E (0.51) GRM2KDM4EALDH1A1HPGDCLK4
SCHEMBL14014460 0.86 ALDH1A1 (0.50) GRM2KDM4EALDH1A1HPGDCLK4
SCHEMBL14014371 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDCLK4LMNA
SCHEMBL14013963 0.85 GRM2 (0.45) GRM2KDM4EALDH1A1HPGDCLK4
SCHEMBL4706821 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDCLK4LMNA
SCHEMBL4707687 0.83 KDM4E (0.40) GRM2KDM4EALDH1A1HPGDCLK4
SCHEMBL4707693 0.83 GSTP1 (0.45) GRM2KDM4EHPGDRXFP1MAOB
SCHEMBL4708684 0.82 GSTP1 (0.44) GRM2KDM4ELMNAMAOBFFAR1

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
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed