SCHEMBL28627159

SCHEMBL28627159

CC(C)(C)OC(=O)N1C=C(N)C(N)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
KDM1A O60341 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.34
ADORA1 P30542 1/20 0.34
RORC P51449 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL18651951 0.73 KDM4E (0.38) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL7970964 0.72 CHRM2 (0.39) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL2793465 0.71 USP2 (0.37) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL19827493 0.70 GPR119 (0.39) NR1H2KDM1AGPR119ADORA1USP30
SCHEMBL3505154 0.68 ESR2 (0.45) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL3629917 0.67 KDM4E (0.39) CHRM2CHRM1CHRM3GPR119ELANE
SCHEMBL4876240 0.67 KDM4E (0.39) CHRM2CHRM1CHRM3GPR119ELANE
SCHEMBL29215624 0.67 GAA (0.37) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL3714508 0.67 KDM4E (0.36) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL28311005 0.67 NR1H2 (0.35) NR1H2GPR119RORCKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075199-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2022-02-22 CN disclosed
CN-114075200-A JAK inhibitor compounds for the treatment of severe pneumonia 河南迈英诺医药科技有限公司 2022-02-22 CN disclosed
CN-113563345-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-10-29 CN disclosed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN disclosed
CN-111606908-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2020-09-01 CN disclosed