SCHEMBL16638051

SCHEMBL16638051

CC(C)(C)n1ncc2cc([AsH2])ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.35
▸ CYP11B2 P19099 11/20 0.35
▸ CYP11B1 P15538 9/20 0.35
▸ SRC P12931 2/20 0.34
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ HCAR3 P49019 1/20 0.30
▸ SMO Q99835 1/20 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
SCHEMBL13407783 0.79 NR3C1 (0.41) NR3C1CYP11B2CYP11B1SRCCHEK1
SCHEMBL23170668 0.75 CYP11B2 (0.52) NR3C1CYP11B2CYP11B1
SCHEMBL10050859 0.73 RECQL (0.43) CYP11B2CYP11B1
SCHEMBL17616559 0.72 SMN1; SMN2 (0.33) CYP11B2CYP11B1SRC
SCHEMBL12775602 0.70 CYP17A1 (0.41) —
SCHEMBL22593921 0.68 RIPK2 (0.41) —
SCHEMBL12775610 0.67 CYP17A1 (0.41) CYP11B2CYP11B1
SCHEMBL24037212 0.67 ALDH1A1 (0.51) —
SCHEMBL20021709 0.66 GAA (0.36) CYP11B2CYP11B1TRPA1
SCHEMBL14012593 0.59 TSHR (0.39) —

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-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 — — EP disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 — — WO disclosed
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