SCHEMBL14014609

SCHEMBL14014609

O=C(O)c1cnn2c(C3CCCCC3)c(-c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.39
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
TNK2 Q07912 1/20 0.38
CAMKK1 Q8N5S9 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
PLAT P00750 1/20 0.37
P2RY1 P47900 1/20 0.37
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14014608 0.90 DHODH (0.44) HSD17B10KEAP1NFE2L2PLATDHODH
SCHEMBL14014545 0.89 NR4A2 (0.48) HSD17B10MCL1TNK2PLATBTK
SCHEMBL14014913 0.88 KDM4E (0.46) HSD17B10KDM4EKEAP1NFE2L2CAMKK1
SCHEMBL14014603 0.86 HSD17B10 (0.46) HSD17B10KDM4EKEAP1NFE2L2CAMKK1
SCHEMBL14014924 0.83 KDM4E (0.38) HSD17B10KDM4EKEAP1NFE2L2CAMKK1
SCHEMBL14014928 0.83 GABBR2 (0.42) KDM4ECAMKK1CAMKK2PLATALDH1A1
SCHEMBL14014539 0.81 PLAT (0.37) TNK2PLATBTKTP53
SCHEMBL14014880 0.81 KEAP1 (0.46) KDM4EKEAP1NFE2L2CAMKK1CAMKK2
SCHEMBL4708491 0.80 HSD17B10 (0.47) HSD17B10KDM4EKEAP1NFE2L2CAMKK1
SCHEMBL14014888 0.79 CAMKK2 (0.47) KDM4EKEAP1NFE2L2CAMKK1CAMKK2

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