SCHEMBL31096371

SCHEMBL31096371

O=c1c2c(Nc3ccc(I)cc3F)cncc2ccn1C[C@@H](O)CO

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 20/20 0.76
▸ MAP2K2 P36507 2/20 0.54
▸ MAP2K5 Q13163 1/20 0.54
▸ PRKCZ Q05513 1/20 0.49
▸ IARS2 Q9NSE4 1/20 0.49

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
SCHEMBL31096355 1.00 MAP2K1 (0.76) MAP2K1MAP2K2MAP2K5PRKCZIARS2
SCHEMBL28645657 1.00 MAP2K1 (0.76) MAP2K1MAP2K2MAP2K5PRKCZIARS2
SCHEMBL24407570 1.00 MAP2K1 (0.76) MAP2K1MAP2K2MAP2K5PRKCZIARS2
SCHEMBL24407510 1.00 MAP2K1 (0.76) MAP2K1MAP2K2MAP2K5PRKCZIARS2
SCHEMBL24407608 0.91 MAP2K1 (0.63) MAP2K1MAP2K2MAP2K5PRKCZIARS2
SCHEMBL24407573 0.89 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5
SCHEMBL24407522 0.89 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5
SCHEMBL26047554 0.89 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5
SCHEMBL26047576 0.85 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5
SCHEMBL31096306 0.83 MAP2K1 (0.55) MAP2K1MAP2K2PRKCZIARS2

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-113473986-B Naphthyridoneaniline compounds for the treatment of skin disorders 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
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