SCHEMBL22732907

SCHEMBL22732907

NC[C@H]1CN(C=O)CCO1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.35
CHEK2 O96017 6/20 0.35
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
SRC P12931 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31

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
SCHEMBL3403132 1.00 CHEK1 (0.35) CHEK1CHEK2PRKCGPRKCBSRC
Hydrochloric Acid SCHEMBL23698679 0.98 CHEK1 (0.34) CHEK1CHEK2PRKCGPRKCBSRC
SCHEMBL23710140 0.82 DRD4 (0.31)
SCHEMBL29221316 0.81 AKT1 (0.31)
SCHEMBL29221319 0.81 AKT1 (0.31)
SCHEMBL29221312 0.81 ALDH1A1 (0.34)
SCHEMBL14940865 0.81 PDK1 (0.47) PRKCGPRKCBPRKCAPRKCHPRKCZ
SCHEMBL29335643 0.81 PDK1 (0.47) PRKCGPRKCBPRKCAPRKCHPRKCZ
SCHEMBL29221314 0.81 ALDH1A1 (0.34)
SCHEMBL9779313 0.81 KDM4E (0.31)

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-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed
WO-2020238785-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR 正大天晴药业集团股份有限公司 2020-12-03 WO disclosed