SCHEMBL23195802

SCHEMBL23195802

CC(C)(C)Nc1ncc(C(N)=O)c(Nc2cccc(C(=O)O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.57
SYK P43405 16/20 0.56
MAPK9 P45984 1/20 0.54
ZAP70 P43403 2/20 0.53
KCNH2 Q12809 1/20 0.53
AURKB Q96GD4 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL30302303 1.00 MAPK8 (0.57) MAPK8SYKMAPK9ZAP70KCNH2
SCHEMBL23196158 0.89 MAPK8 (0.55) MAPK8SYKMAPK9ZAP70KCNH2
SCHEMBL14658869 0.87 MAPK8 (0.72) MAPK8SYKMAPK9ZAP70KCNH2
SCHEMBL24591376 0.84 SYK (0.61) MAPK8SYKZAP70KCNH2AURKB
SCHEMBL270227 0.82 EGFR (0.55) MAPK8SYKMAPK9AURKBEGFR
SCHEMBL4713443 0.82 SYK (0.78) SYKZAP70KCNH2AURKB
Hydrochloric Acid SCHEMBL4711582 0.81 SYK (0.76) SYKZAP70KCNH2AURKB
SCHEMBL3174240 0.78 AURKA (0.58) MAPK8SYKMAPK9ZAP70AURKB
SCHEMBL15161205 0.77 SYK (0.66) MAPK8SYKMAPK9ZAP70KCNH2
SCHEMBL14657985 0.77 MAPK8 (0.66) MAPK8SYKMAPK9ZAP70

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-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