SCHEMBL13734652

SCHEMBL13734652

c1csc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PRKDC P78527 2/20 0.47
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL13737298 0.87 FLT3 (0.48) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13735901 0.87 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13735031 0.84 HTT (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13734872 0.84 NPC1 (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13734775 0.83 KDM4E (0.40) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13735494 0.83 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13736589 0.81 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13734221 0.79 ACVR1 (0.41) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28580846 0.79 NPC1 (0.69) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13734685 0.78 MAPK9 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed