SCHEMBL22854505

SCHEMBL22854505

CC(Br)c1nc2cccc(Cl)c2c(=O)n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 0.46
▸ PIK3R2 O00459 7/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OGFRL1 Q5TC84 1/20 0.45
▸ STS P08842 1/20 0.44
▸ PIK3CG P48736 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
SCHEMBL17330717 0.91 PIK3CD (0.47) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17330623 0.91 PIK3CD (0.47) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17330820 0.88 OPRM1 (0.48) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17331031 0.87 PIK3CD (0.45) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17331032 0.87 PIK3CD (0.45) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL28511263 0.87 PIK3CD (0.49) PIK3CDPIK3R2PIK3CG
SCHEMBL17330563 0.86 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17330565 0.86 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL17330951 0.86 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OPRD1OGFRL1
SCHEMBL22854515 0.84 PIK3R2 (0.47) PIK3CDPIK3R2

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
CN-112142745-B Casein kinase 1 epsilon inhibitor, pharmaceutical composition and application thereof 杭州和正医药有限公司 2023-03-21 — — CN disclosed
EP-3964512-A1 CASEIN KINASE 1epsilon INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2022-03-09 — — EP disclosed
WO-2020259463-A1 CASEIN KINASE 1ε INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2020-12-30 — — WO disclosed
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