SCHEMBL13735876

SCHEMBL13735876

c1ccc(-c2ccnn2-c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.56
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
MAPK8 P45983 1/20 0.43
CHKA P35790 2/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
STAT1 P42224 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR3C2 P08235 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
SCHEMBL28809680 0.98 PTGS2 (0.58) PTGS2MAPK9MAPK10MAPK8CHKA
SCHEMBL13736967 0.89 PTGS2 (0.60) PTGS2MAPK9MAPK10ALDH1A1MAPT
SCHEMBL13734778 0.87 CHKA (0.56) PTGS2MAPK9MAPK10MAPK8CHKA
SCHEMBL13734733 0.86 NPC1 (0.56) PTGS2MAPK9MAPK10ALDH1A1MAPT
SCHEMBL13734680 0.83 CHRNA7 (0.58) PTGS2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5907310 0.83 MAPK9 (0.56) PTGS2MAPK9MAPK10MAPK8MDM2
SCHEMBL1155787 0.82 MDM2 (0.55) PTGS2MAPK9MAPK10MAPK8MDM2
SCHEMBL19240299 0.78 POLB (0.52) PTGS2MAPK9MAPK10MAPK8MDM2
SCHEMBL12759885 0.78 MDM2 (0.52) MAPK9MAPK10MAPK8MDM2ALDH1A1
SCHEMBL27742800 0.78 MAPK9 (0.51) PTGS2MAPK9MAPK10MAPK8MDM2

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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 CN disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed