SCHEMBL31135605

SCHEMBL31135605

COC(=O)c1ccc(C#N)nc1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ PIK3CG P48736 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1615794 1.00 MAP2K1 (0.38) MAP2K1HPGDPIK3CGCYP1A2CYP3A4
SCHEMBL24195913 0.87 HPGD (0.41) MAP2K1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL31135613 0.86 MAP2K1 (0.53) MAP2K1
SCHEMBL23850839 0.86 MAP2K1 (0.53) MAP2K1
SCHEMBL31135636 0.85 MAP2K1 (0.36) MAP2K1HPGDPIK3CGCYP1A2CYP3A4
SCHEMBL1615057 0.85 MAP2K1 (0.36) MAP2K1HPGDPIK3CGCYP1A2CYP3A4
SCHEMBL24196097 0.84 MAP2K1 (0.37) MAP2K1HPGDPIK3CGCYP1A2CYP3A4
SCHEMBL1615868 0.83 TUBB4A (0.38) PIK3CGALDH1A1KDM4EMAPK14DHODH
SCHEMBL31135611 0.83 TUBB4A (0.38) PIK3CGALDH1A1KDM4EMAPK14DHODH
SCHEMBL1615058 0.83 APP (0.34) MAP2K1HPGDMAPK14DHODH

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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