SCHEMBL23196014

SCHEMBL23196014

CC(C)(C)Nc1ncc(C(N)=O)c(N2CCC(CO)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.46
▸ MAPK9 P45984 3/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ SYK P43405 6/20 0.41
▸ JAK3 P52333 3/20 0.40
▸ LCK P06239 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37

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
SCHEMBL23195814 0.94 MAPK8 (0.47) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL23196372 0.83 MAPK8 (0.58) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL23196012 0.81 MAPK8 (0.47) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14320787 0.75 CDK8 (0.47) —
SCHEMBL1021373 0.72 SYK (0.67) SYK
SCHEMBL29421239 0.71 RBP4 (0.51) —
SCHEMBL29421232 0.71 RBP4 (0.51) —
SCHEMBL14657985 0.69 MAPK8 (0.66) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14657579 0.69 MAPK8 (0.63) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14657284 0.69 MAPK8 (0.63) MAPK8MAPK9ADORA3MAPK10SYK

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
EP-4023642-A1 JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-07-06 — — EP disclosed
EP-4023642-A1 JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-07-06 — — EP disclosed
WO-2021063207-A1 JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2021-04-08 — — WO disclosed
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