SCHEMBL30486893

SCHEMBL30486893

COc1cnc2c(c1)c(C(=O)NOCCO)c(Nc1ccc(I)cc1F)n2C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 17/20 0.61
▸ MAP2K2 P36507 3/20 0.56
▸ MAP2K5 Q13163 1/20 0.56
▸ EIF2AK1 Q9BQI3 1/20 0.56
▸ KCNH2 Q12809 2/20 0.54
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL21979498 1.00 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL26047206 0.91 MAP2K1 (0.49) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL24239396 0.91 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
Nedometinib SCHEMBL21979494 0.85 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
Nedometinib SCHEMBL29500231 0.85 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL21979505 0.85 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL21979490 0.84 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL30486884 0.84 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
Hydrochloric Acid SCHEMBL28385111 0.84 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL22039975 0.81 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1

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-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 — — CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-111065393-B Pyrrolopyridine-anilines for the treatment of skin disorders 恩福莱克逊治疗有限公司 2023-08-18 — — CN disclosed
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