SCHEMBL31376766

SCHEMBL31376766

Cc1cc(C(=O)O)c(Nc2ccc(I)cc2F)nc1C#N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 17/20 0.56
▸ MAP2K2 P36507 7/20 0.48
▸ IDO1 P14902 2/20 0.46
▸ MAP2K5 Q13163 1/20 0.39
▸ EIF2AK1 Q9BQI3 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ TNFRSF1A P19438 1/20 0.38
▸ STK3 Q13188 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
SCHEMBL31135614 0.90 MAP2K1 (0.59) MAP2K1MAP2K2IDO1AURKAPRKCB
SCHEMBL23851383 0.90 MAP2K1 (0.59) MAP2K1MAP2K2IDO1AURKAPRKCB
SCHEMBL31403386 0.86 MAP2K1 (0.52) MAP2K1MAP2K2IDO1MAP2K5EIF2AK1
SCHEMBL23852559 0.86 MAP2K1 (0.52) MAP2K1MAP2K2IDO1MAP2K5EIF2AK1
SCHEMBL31543771 0.81 MAP2K1 (0.49) MAP2K1MAP2K2IDO1
SCHEMBL24195682 0.81 DHODH (0.42) MAP2K1MAP2K2
SCHEMBL23851097 0.81 MAP2K1 (0.62) MAP2K1MAP2K2IDO1
SCHEMBL31135615 0.81 MAP2K1 (0.62) MAP2K1MAP2K2IDO1
SCHEMBL23850846 0.80 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL31135631 0.80 MAP2K1 (0.50) MAP2K1MAP2K2IDO1

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 2 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
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