SCHEMBL694816

SCHEMBL694816

N#Cc1ccc2c(cnc3cn[nH]c32)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.39
MAPK10 P53779 2/20 0.39
HPGDS O60760 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
METAP2 P50579 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ITK Q08881 2/20 0.34
SGK1 O00141 2/20 0.33
CYP17A1 P05093 1/20 0.33
CHUK O15111 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
CYP19A1 P11511 1/20 0.33
METAP1 P53582 1/20 0.33
PIN1 Q13526 1/20 0.33

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
SCHEMBL30481668 0.79 MAPK10 (0.39) RIPK1MAPK10METAP2ITKSGK1
SCHEMBL14830830 0.79 MAPK10 (0.39) RIPK1MAPK10METAP2ITKSGK1
SCHEMBL31538744 0.73 ALDH1A1 (0.51) RIPK1MAPK10IMPDH2IMPDH1METAP2
SCHEMBL694559 0.72 KDM4E (0.53) METAP2
SCHEMBL16936902 0.71 MAPK10 (0.42) RIPK1MAPK10IMPDH2IMPDH1METAP2
SCHEMBL695962 0.71 PLAU (0.39)
SCHEMBL708360 0.70 CCNE2 (0.36) RIPK1MAPK10METAP2CYP11B2ITK
SCHEMBL3683853 0.69 METAP2 (0.46) RIPK1MAPK10IMPDH2IMPDH1METAP2
SCHEMBL29740998 0.68 TRPA1 (0.54) RIPK1MAPK10IMPDH2IMPDH1METAP2
SCHEMBL774832 0.68 TRPA1 (0.54) RIPK1MAPK10IMPDH2IMPDH1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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