SCHEMBL17801042

SCHEMBL17801042

CC(C)(C)OC(=O)N1CCCC1c1n[nH]c(-c2ccc3[nH]nc(Br)c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
USP30 Q70CQ3 4/20 0.37
PRMT5 O14744 1/20 0.36
CNR1 P21554 1/20 0.36
KMT2A Q03164 1/20 0.36
UCHL1 P09936 3/20 0.35
AURKA O14965 3/20 0.35
PDPK1 O15530 3/20 0.35
AURKB Q96GD4 3/20 0.35

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
SCHEMBL17801021 0.82 CCNC (0.39) CHEK2CCNCCDK8USP30CNR1
SCHEMBL17801100 0.81 WNT1 (0.44) PDPK1
SCHEMBL2731621 0.74 HPGDS (0.46) CHEK2USP30PRMT5
SCHEMBL2731625 0.74 HPGDS (0.46) CHEK2USP30PRMT5
SCHEMBL17801083 0.73 HPGDS (0.45) CHEK2PRMT5CNR1
SCHEMBL17801068 0.72 HTT (0.47) CHEK2PRMT5CNR1KMT2A
SCHEMBL2732410 0.72 HPGDS (0.42) CHEK2USP30PRMT5CNR1
SCHEMBL2732920 0.72 HPGDS (0.42) CHEK2USP30PRMT5CNR1
SCHEMBL17801041 0.70 CPT1A (0.48) USP30
SCHEMBL13298102 0.69 KMT2A (0.45) CCNCCDK8USP30KMT2AUCHL1

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