SCHEMBL28257968

SCHEMBL28257968

CS(=O)(=O)N1CCC(c2cnccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ IKBKB O14920 1/20 0.38

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
SCHEMBL6232040 0.78 KDM4E (0.38) CDK9
SCHEMBL28254347 0.77 MAPK11 (0.53) IDO1LMNAMAPK11MAPK14MAPK8
SCHEMBL14250161 0.75 — —
SCHEMBL30339210 0.75 — —
SCHEMBL19658657 0.75 CYP2C9 (0.46) IDO1GPR119MAPK11MAPK14CYP4F2
SCHEMBL28262276 0.75 MAP4K4 (0.39) —
SCHEMBL15448220 0.74 PDCD1LG2 (0.35) GPR119MAPK14
SCHEMBL16218245 0.74 PARP1 (0.41) —
SCHEMBL30711201 0.73 EPHX2 (0.49) CYP3A4GPR119
SCHEMBL2100499 0.72 TP53 (0.60) IDO1CYP3A4LMNAMAPK11MAPK14

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
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 — — CN disclosed
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