SCHEMBL31135614

SCHEMBL31135614

N#Cc1nc(Nc2ccc(I)cc2F)c(C(=O)O)cc1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 17/20 0.59
▸ MAP2K2 P36507 7/20 0.51
▸ IDO1 P14902 1/20 0.51
▸ AURKA O14965 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL23851383 1.00 MAP2K1 (0.59) MAP2K1MAP2K2IDO1AURKAPRKCB
SCHEMBL31376766 0.90 MAP2K1 (0.56) MAP2K1MAP2K2IDO1AURKAPRKCB
SCHEMBL24196106 0.88 MAP2K1 (0.48) MAP2K1MAP2K2IDO1
SCHEMBL31135631 0.87 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL23850846 0.87 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL24195682 0.86 DHODH (0.42) MAP2K1MAP2K2DHODH
SCHEMBL23851097 0.83 MAP2K1 (0.62) MAP2K1MAP2K2IDO1DHODH
SCHEMBL31135615 0.83 MAP2K1 (0.62) MAP2K1MAP2K2IDO1DHODH
SCHEMBL24195910 0.82 MAP2K1 (0.65) MAP2K1MAP2K2
SCHEMBL24195795 0.82 MAP2K1 (0.65) MAP2K1MAP2K2

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-113473978-B Cyanoarene-aniline compounds for the treatment of skin disorders 恩福莱克逊治疗有限公司 2025-03-28 — — CN disclosed
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
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