SCHEMBL694998

SCHEMBL694998

C[Si](C)(C)CCOCn1nc2c(nc(-c3c(F)cccc3F)c3cc(F)ccc32)c1NC1CCN(C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
MAPK14 Q16539 2/20 0.32
DGAT1 O75907 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPK8 P45983 2/20 0.31
JUN P05412 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
ENPP1 P22413 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPR1 P16066 2/20 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
SCHEMBL2680399 0.91 DNMT3A (0.40)
SCHEMBL695749 0.88 MAPK8 (0.36) MAPK14DGAT1MAPK8CDK2ENPP1
SCHEMBL694943 0.87 MAPK14 (0.36) MAPK14DGAT1MAPK8
SCHEMBL694055 0.84 CDK2 (0.35) MAPK14CDK2ALDH1A1GAA
SCHEMBL2680003 0.82 CDK2 (0.35) MAPK14CDK2SMN1; SMN2
SCHEMBL694678 0.82 MAPK8 (0.31) MAPK8CDK2
SCHEMBL694576 0.81 CDK2 (0.33) MAPK14MAPK8CDK2
SCHEMBL695950 0.80 CDK2 (0.33) MAPK14MAPK8CDK2
SCHEMBL694684 0.80 MAPK8 (0.31) MAPK8CDK2
SCHEMBL695339 0.80 CDK2 (0.33) MAPK14MAPK8CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed