SCHEMBL24377767

SCHEMBL24377767

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(Cl)ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
JAK1 P23458 2/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
CNR1 P21554 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
HPGDS O60760 1/20 0.42
GPR119 Q8TDV5 4/20 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
SCHEMBL24377814 0.89 KDM4E (0.41) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL29546477 0.89 KDM4E (0.41) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL16610331 0.88 KDM4E (0.47) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL4775441 0.86 GPR119 (0.46) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL29547014 0.85 OXTR (0.42) KDM4EJAK1JAK2TYK2JAK3
SCHEMBL24377843 0.85 OXTR (0.42) KDM4EJAK1JAK2TYK2JAK3
SCHEMBL4771971 0.83 AVPR1A (0.50) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL4771288 0.82 GPR119 (0.47) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL14325302 0.82 KDM4E (0.51) KDM4EMAPTTHRBCNR1MEN1
SCHEMBL22773228 0.81 MAPT (0.47) KDM4EMAPTTHRBJAK1JAK2

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-2022083560-A1 TYK2 SELECTIVE INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2022-04-28 WO disclosed