SCHEMBL29048360

SCHEMBL29048360

CCC(O)n1cc(-c2ccnc(Cl)n2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 4/20 0.40
▸ MKNK1 Q9BUB5 3/20 0.40
▸ DYRK1A Q13627 3/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ EGFR P00533 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34

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
SCHEMBL30701116 1.00 MKNK2 (0.40) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL17542623 0.84 MKNK1 (0.53) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL29048361 0.83 MKNK2 (0.44) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL17553691 0.81 MKNK2 (0.41) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL17542604 0.79 MKNK2 (0.53) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL29419125 0.77 MKNK1 (0.50) MKNK2MKNK1DYRK1ACDK2EGFR
SCHEMBL5096322 0.77 MKNK1 (0.50) MKNK2MKNK1DYRK1ACDK2EGFR
SCHEMBL19532488 0.77 MKNK2 (0.54) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL22510211 0.76 GSK3B (0.42) MKNK2MKNK1DYRK1ACDK2DYRK1B
SCHEMBL19337254 0.76 GSK3B (0.40) MKNK2MKNK1DYRK1ACDK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 — — CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 — — CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 — — CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 — — CN disclosed
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