SCHEMBL31135636

SCHEMBL31135636

COC(=O)c1cc(F)c(C#N)nc1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 4/20 0.36
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 5/20 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
▸ DHODH Q02127 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 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
SCHEMBL1615057 1.00 MAP2K1 (0.36) MAP2K1HPGDALDH1A1KDM4EGAA
SCHEMBL16855028 0.88 HPGD (0.42) MAP2K1HPGDALDH1A1GAASMN1; SMN2
SCHEMBL24195828 0.87 CSF1R (0.39) MAP2K1HPGDALDH1A1KDM4EGAA
SCHEMBL31135631 0.86 MAP2K1 (0.50) MAP2K1
SCHEMBL23850846 0.86 MAP2K1 (0.50) MAP2K1
SCHEMBL1615794 0.85 MAP2K1 (0.38) MAP2K1HPGDALDH1A1KDM4EGAA
SCHEMBL31135605 0.85 MAP2K1 (0.38) MAP2K1HPGDALDH1A1KDM4EGAA
SCHEMBL24196144 0.84 MAP2K1 (0.35) MAP2K1HPGDALDH1A1KDM4EGAA
SCHEMBL1615894 0.83 KEAP1 (0.37) MAP2K1KDM4EDHODHPIK3CG
SCHEMBL31135656 0.83 KEAP1 (0.37) MAP2K1KDM4EDHODHPIK3CG

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-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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