SCHEMBL30035017

SCHEMBL30035017

O=C(NOCCO)c1c(Nc2ccc(I)cc2F)sc2ncc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.57
MAP2K2 P36507 3/20 0.57
CYP2C9 P11712 3/20 0.51
KCNH2 Q12809 3/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL20565269 1.00 MAP2K1 (0.57) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL22045822 0.91 MAP2K1 (0.58) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL30034176 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL20565325 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL24088798 0.89 MAP2K1 (0.47) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL20565262 0.87 MAP2K1 (0.57) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL30034530 0.87 MAP2K1 (0.57) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL20565703 0.83 MAP2K1 (0.55) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL30034958 0.83 MAP2K1 (0.55) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL24906390 0.83 MAP2K1 (0.48) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19

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-111093658-B Fused heteroaromatic-aniline compounds for the treatment of skin diseases 恩福莱克逊治疗有限公司 2022-10-14 CN disclosed