SCHEMBL29988706

SCHEMBL29988706

Cc1cc(-c2n[nH]c3ccc(-c4ccn(Cc5cccc(Cl)c5)c(=O)c4)cc23)ccn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.60
MAPK3 P27361 3/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL20786333 1.00 MAPK1 (0.60) MAPK1MAPK3MKNK1MKNK2CCNA2
SCHEMBL29988154 0.92 MAPK1 (0.55) MAPK1MKNK2CDK2
SCHEMBL20786016 0.92 MAPK1 (0.55) MAPK1MKNK2CDK2
SCHEMBL22277866 0.91 MAPK1 (0.49) MAPK1MAPK3
SCHEMBL20786510 0.90 MAPK1 (0.47) MAPK1
SCHEMBL29989181 0.90 MAPK1 (0.47) MAPK1
SCHEMBL29988646 0.89 MAPK1 (0.50) MAPK1MKNK1MKNK2
SCHEMBL20786668 0.89 MAPK1 (0.50) MAPK1MKNK1MKNK2
SCHEMBL20786336 0.89 MAPK1 (0.47) MAPK1MAPK3
SCHEMBL29988193 0.89 MAPK1 (0.47) MAPK1MAPK3

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
CN-111032656-B Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2022-12-02 CN claimed
CN-111032656-B Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2022-12-02 CN disclosed