SCHEMBL17135656

SCHEMBL17135656

O=C(O)c1cccc(-c2nc(Nc3ccc4cn[nH]c4c3)c3[nH]ncc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.51
ROCK1 Q13464 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SYK P43405 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CLK2 P49760 2/20 0.45
STK3 Q13188 2/20 0.45
DYRK1A Q13627 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
STK17A Q9UEE5 2/20 0.45
BLK P51451 1/20 0.45
CSNK2A1 P68400 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL14321208 0.90 PDE5A (0.52) ROCK2ROCK1SYKCLK2STK3
SCHEMBL14320502 0.87 FGFR1 (0.48) ROCK2ROCK1MEN1KMT2ASYK
SCHEMBL14320672 0.84 ABCG2 (0.54) MEN1KMT2ASYKABCG2
SCHEMBL15652843 0.82 ABCG2 (0.54) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL14320390 0.82 ABCG2 (0.53) ROCK2ROCK1MEN1KMT2ASYK
SCHEMBL14320987 0.82 FGFR1 (0.54) ROCK2SYKL3MBTL1CLK4ALDH1A1
SCHEMBL17135651 0.81 SYK (0.47) ROCK2ROCK1KMT2ASYKCLK2
SCHEMBL14320319 0.80 MEN1 (0.43) ROCK2ROCK1MEN1KMT2ASYK
SCHEMBL14320680 0.80 SYK (0.46) SYKALDH1A1SMN1; SMN2POLBABCG2
SCHEMBL14320484 0.80 ABCG2 (0.65) MEN1KMT2ASYKALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP claimed