SCHEMBL31135629

SCHEMBL31135629

CCONC(=O)c1ccc(C#N)nc1Nc1ccc(I)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.68
▸ PIM1 P11309 1/20 0.48
▸ CAMK2B Q13554 1/20 0.48
▸ MAP2K2 P36507 4/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BRAF P15056 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAP2K5 Q13163 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL23853581 1.00 MAP2K1 (0.68) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL24195778 0.90 MAP2K1 (0.68) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL24196121 0.90 MAP2K1 (0.55) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL23854204 0.89 MAP2K1 (0.62) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL31135621 0.89 MAP2K1 (0.62) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL24196016 0.89 MAP2K1 (0.53) MAP2K1PIM1CAMK2BMAP2K2
SCHEMBL24195775 0.88 MAP2K1 (0.56) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL24196060 0.88 MAP2K1 (0.52) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL24195671 0.88 MAP2K1 (0.69) MAP2K1PIM1CAMK2BMAP2K2CYP3A4
SCHEMBL24195795 0.86 MAP2K1 (0.65) MAP2K1PIM1CAMK2BMAP2K2CYP3A4

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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