SCHEMBL13735901

SCHEMBL13735901

c1csc(-c2ccnn2-c2ccc(N3CCSCC3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL13734652 0.87 NPC1 (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13737298 0.86 FLT3 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13735494 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13734775 0.82 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13736589 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13734221 0.78 ACVR1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13734720 0.77 HRH4 (0.39) ALDH1A1MAPTLGMN
SCHEMBL13735031 0.76 HTT (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13736645 0.75 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13733921 0.73 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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