SCHEMBL30459782

SCHEMBL30459782

CC(=O)n1cc(-c2ccnc(Cl)n2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ DYRK1A Q13627 2/20 0.54
▸ CREBBP Q92793 3/20 0.47
▸ BRPF1 P55201 1/20 0.47
▸ BRD9 Q9H8M2 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL17683240 1.00 HTT (0.55) HTTDYRK1ACREBBPBRPF1BRD9
SCHEMBL28553930 0.83 DYRK1A (0.48) HTTDYRK1ACREBBPNPSR1MEN1
SCHEMBL19103337 0.81 GSK3B (0.43) DYRK1AFLT3EGFR
SCHEMBL29419125 0.80 MKNK1 (0.50) HTTDYRK1AFLT3EGFRALDH1A1
SCHEMBL5096322 0.80 MKNK1 (0.50) HTTDYRK1AFLT3EGFRALDH1A1
SCHEMBL19337232 0.77 CCNB2 (0.44) DYRK1ACCNB2CDK1CCNB1CCNB3
SCHEMBL17384845 0.76 GAA (0.52) MEN1KMT2AEGFRPOLBALDH1A1
SCHEMBL17542623 0.76 MKNK1 (0.53) DYRK1AMEN1KMT2APOLBKDM4E
SCHEMBL17542604 0.76 MKNK2 (0.53) DYRK1APOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL19699869 0.75 EGFR (0.51) EGFR

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-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-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 — — 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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