SCHEMBL30615232

SCHEMBL30615232

C=CCc1ccc2c(C)c(Cc3cccc(N)c3F)c(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.44
RAF1 P04049 10/20 0.44
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HSD17B3 P37058 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
STS P08842 1/20 0.40
BRAF P15056 2/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K5 Q13163 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26613808 1.00 MAP2K1 (0.44) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL26613693 0.85 MAP2K1 (0.42) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL31366983 0.82 MAP2K1 (0.46) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL26613728 0.82 MAP2K1 (0.65) MAP2K1RAF1CYP2C9CYP3A4CYP2D6
SCHEMBL959639 0.82 HSD17B3 (0.61) MAP2K1RAF1KDM4EGAAGLA
SCHEMBL965394 0.82 MAP2K1 (0.47) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL960743 0.77 MAP2K1 (0.53) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL29842959 0.76 MAP2K1 (0.71) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL965293 0.76 MAP2K1 (0.71) MAP2K1RAF1CYP2C9CYP3A4KDM4E
SCHEMBL960364 0.75 MAP2K1 (0.74) MAP2K1RAF1CYP2C9CYP3A4CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701735-A1 HETEROCYCLIC DERIVATIVE AS MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITOR Nested Therapeutics, Inc. (US) 2026-03-04 EP disclosed
EP-4514471-A1 HETEROCYCLIC DERIVATIVES AS MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-03-05 EP disclosed
CN-119487021-A Heterocyclic derivatives as inhibitors of mitogen-activated protein kinase (MEK) 内斯特治疗公司 2025-02-18 CN disclosed
WO-2024226579-A9 HETEROCYCLIC DERIVATIVE AS MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITOR NESTED THERAPEUTICS, INC. (US) 2024-12-26 WO disclosed
WO-2024226579-A1 HETEROCYCLIC DERIVATIVE AS MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITOR NESTED THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
WO-2023211812-A1 HETEROCYCLIC DERIVATIVES AS MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed