SCHEMBL31403386

SCHEMBL31403386

CCOC(=O)c1cc(C)c(C#N)nc1Nc1ccc(I)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 11/20 0.52
▸ MAP2K2 P36507 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.41
▸ SYK P43405 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP2K5 Q13163 1/20 0.40
▸ EIF2AK1 Q9BQI3 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL23852559 1.00 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1SYKKDM4E
SCHEMBL31376766 0.86 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1IDO1
SCHEMBL930913 0.85 MAP2K1 (0.55) MAP2K1MAP2K2SYKMAPTMAP2K5
SCHEMBL23850846 0.82 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL31135631 0.82 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL24195795 0.79 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL23851383 0.76 MAP2K1 (0.59) MAP2K1MAP2K2IDO1
SCHEMBL31135614 0.76 MAP2K1 (0.59) MAP2K1MAP2K2IDO1
SCHEMBL24196093 0.75 MAP2K1 (0.41) MAP2K1MAP2K2IDO1
SCHEMBL929220 0.75 MAP2K1 (0.43) MAP2K1MAP2K2MAP2K5EIF2AK1IDO1

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
EP-3883552-B1 CYANOARYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS INC (US) 2025-04-09 — — EP claimed
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
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