SCHEMBL14014232

SCHEMBL14014232

O=C(O)c1cc2nc(-c3ccc(Cl)cc3Cl)cc(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MARS1 P56192 12/20 0.49
TTR P02766 1/20 0.46
ALPL P05186 1/20 0.45
DHODH Q02127 1/20 0.44
RPA1 P27694 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL14014204 0.94 KDM4E (0.54) KDM4EALDH1A1MARS1TTRHSD17B10
SCHEMBL14014193 0.91 KDM4E (0.60) KDM4EALDH1A1MARS1TTRRPA1
SCHEMBL14014207 0.91 KDM4E (0.60) KDM4EALDH1A1MARS1TTRRPA1
SCHEMBL14014255 0.90 KDM4E (0.69) KDM4EALDH1A1MARS1TTRHSD17B10
SCHEMBL14014202 0.90 ALDH1A1 (0.69) KDM4EALDH1A1MARS1HSD17B10
SCHEMBL14014262 0.88 KDM4E (0.59) KDM4EALDH1A1MARS1TTRHSD17B10
SCHEMBL14014212 0.88 ALDH1A1 (0.66) KDM4EALDH1A1MARS1HSD17B10
SCHEMBL14014206 0.88 KDM4E (0.59) KDM4EALDH1A1MARS1TTRHSD17B10
SCHEMBL14014214 0.87 KDM4E (0.59) KDM4EALDH1A1MARS1TTRDHODH
SCHEMBL14014205 0.87 MARS1 (0.55) KDM4EALDH1A1MARS1TTRRPA1

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