SCHEMBL28454508

SCHEMBL28454508

CC(C)(CC1(O)CN(C(=O)c2ccncc2Nc2ccc(I)cc2F)C1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 19/20 0.45
▸ MAP2K2 P36507 16/20 0.45
▸ PRKCZ Q05513 1/20 0.43
▸ IARS2 Q9NSE4 1/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ACTR3 P61158 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL28452540 0.85 MAP2K2 (0.64) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL3119669 0.84 MAP2K1 (0.48) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL4578135 0.84 MAP2K1 (0.48) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL30220946 0.80 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL1488452 0.80 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL29413562 0.80 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL1488453 0.76 MAP2K1 (0.43) MAP2K1MAP2K2PRKCZIARS2CHRM2
Acetic Acid SCHEMBL4579329 0.74 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2CHRM2
Acetic Acid SCHEMBL1488757 0.74 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2CHRM2
SCHEMBL3835336 0.74 MAP2K1 (0.71) MAP2K1MAP2K2PRKCZIARS2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 — — CN disclosed
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