SCHEMBL14014697

SCHEMBL14014697

Clc1cc(Cl)cc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL14014639 0.92 TNK2 (0.38) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL14014671 0.90 BTK (0.33) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL14014652 0.89 LCK (0.39) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL14541774 0.88 NPC1 (0.33) NPC1RAB9AKMT2AMEN1DGAT1
SCHEMBL14014567 0.87 LCK (0.35) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL14014700 0.87 CHEK2 (0.33) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL14014565 0.86 KMT2A (0.39) NPC1RAB9AKMT2AMEN1
SCHEMBL14014641 0.86 GABBR2 (0.37) NPC1RAB9AKMT2A
SCHEMBL14014643 0.86 GABBR2 (0.39) NPC1RAB9AKMT2A
SCHEMBL4709333 0.85 TNK2 (0.38) NPC1RAB9AKMT2AMEN1

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