SCHEMBL14014681

SCHEMBL14014681

COc1ccc(OC)c(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PLAT P00750 2/20 0.33
LRRK2 Q5S007 1/20 0.33
KDR P35968 1/20 0.33
NAAA Q02083 2/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
FYN P06241 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL14014589 0.92 PLAT (0.36) PDE2AKMT2APLATKDRACVR2A
SCHEMBL14014682 0.88 NPC1 (0.36) NPC1RAB9AKMT2APLATKDR
SCHEMBL14014686 0.88 ALOX5AP (0.33) NPC1RAB9AKMT2AACVR2ATGFBR2
SCHEMBL14014615 0.87 MAOB (0.37) NPC1RAB9AKMT2APLATALDH1A1
SCHEMBL14014701 0.84 KMT2A (0.37) NPC1RAB9AKMT2APLATKDR
SCHEMBL4709333 0.84 TNK2 (0.38) NPC1RAB9AKMT2APLATKDR
SCHEMBL14014892 0.83 ALDH1A1 (0.40) NPC1RAB9AKMT2APLATLRRK2
SCHEMBL14014646 0.83 KMT2A (0.36) NPC1RAB9AKMT2APLATKDR
SCHEMBL14014786 0.82 GABRG2 (0.37)
SCHEMBL14014796 0.82 BMP4 (0.36) KMT2AKDRTGFBR2ALDH1A1HPGD

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