SCHEMBL14014603

SCHEMBL14014603

COc1cccc(Oc2cccc(-c3cnc4c(C(=O)O)cnn4c3C3CCCCC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
KEAP1 Q14145 4/20 0.43
NFE2L2 Q16236 4/20 0.43
MAPK13 O15264 1/20 0.42
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
NSD2 O96028 1/20 0.41
NSD1 Q96L73 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
HPSE Q9Y251 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PLAT P00750 1/20 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
SCHEMBL4708491 0.92 HSD17B10 (0.47) HSD17B10AXLFLT3TYRO3MERTK
SCHEMBL14014608 0.89 DHODH (0.44) HSD17B10FLT3KEAP1NFE2L2PIM1
SCHEMBL14014543 0.89 ALKBH1 (0.46) HSD17B10AXLFLT3TYRO3MERTK
SCHEMBL14014598 0.89 HSD17B10 (0.41) HSD17B10AXLFLT3TYRO3MERTK
SCHEMBL14014609 0.86 HSD17B10 (0.44) HSD17B10KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL14014496 0.84 KDM4E (0.56) HSD17B10AXLFLT3TYRO3MERTK
SCHEMBL14014880 0.83 KEAP1 (0.46) AXLFLT3TYRO3MERTKKEAP1
SCHEMBL14014939 0.83 KDM4E (0.48) HSD17B10KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL4708884 0.81 CSNK1D (0.49) HSD17B10AXLFLT3TYRO3MERTK
SCHEMBL14014888 0.81 CAMKK2 (0.47) AXLFLT3TYRO3MERTKKEAP1

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 5 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
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO 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