SCHEMBL30486891

SCHEMBL30486891

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 19/20 0.42
▸ MAP2K2 P36507 2/20 0.37
▸ MAP2K5 Q13163 1/20 0.37
▸ EIF2AK1 Q9BQI3 1/20 0.37
▸ FLT1 P17948 1/20 0.37

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
SCHEMBL22039975 1.00 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
SCHEMBL29376483 1.00 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
SCHEMBL21979481 0.91 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL31135635 0.91 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL26047198 0.90 CSF1R (0.41) MAP2K1MAP2K2
SCHEMBL21979505 0.88 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
SCHEMBL21979490 0.87 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
SCHEMBL30486884 0.87 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
Hydrochloric Acid SCHEMBL28385111 0.87 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1FLT1
SCHEMBL21979503 0.84 MAP2K1 (0.43) 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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