SCHEMBL17801033

SCHEMBL17801033

O=C(NC1CC1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCNC5)n4)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.55
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK14 Q16539 1/20 0.49
WNT1 P04628 4/20 0.47
DYRK1A Q13627 4/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CSNK1D P48730 1/20 0.44
PIM1 P11309 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
SCHEMBL17801053 0.84 MAP3K5 (0.55) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL17801036 0.79 USP30 (0.51) MAP3K5LRRK2CSNK1D
SCHEMBL17801027 0.79 MAP3K5 (0.56) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL17801012 0.79 MAP3K5 (0.54) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL5378051 0.79 MAP3K5 (0.56) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL17801074 0.78 MAP3K5 (0.55) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL5388782 0.78 MAP3K5 (0.62) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL8257307 0.78 MAP3K5 (0.61) MAP3K5MAPK8MAPK10MAPK14WNT1
SCHEMBL17801088 0.77 MAP3K5 (0.52) MAP3K5WNT1DYRK1ALRRK2CSNK1D
SCHEMBL5378042 0.76 MAP3K5 (0.59) MAP3K5MAPK8MAPK10MAPK14WNT1

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
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO claimed
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed