SCHEMBL28897832

SCHEMBL28897832

Cn1cnc2c(F)c(Nc3ccc(I)cc3F)c(C(=O)N3CC(O)(C4CCCCN4)N3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 20/20 0.56
▸ MAP2K2 P36507 18/20 0.56
▸ BRAF P15056 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ ACTR3 P61158 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ ABCB11 O95342 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ SMC2 O95347 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37

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
SCHEMBL1488208 0.90 MAP2K1 (0.71) MAP2K1MAP2K2BRAFCHRM2CHRM1
SCHEMBL1488341 0.90 MAP2K1 (0.71) MAP2K1MAP2K2BRAFCHRM2CHRM1
SCHEMBL30220827 0.90 MAP2K1 (0.71) MAP2K1MAP2K2BRAFCHRM2CHRM1
SCHEMBL30220921 0.90 MAP2K1 (0.71) MAP2K1MAP2K2BRAFCHRM2CHRM1
Acetic Acid SCHEMBL1489186 0.88 MAP2K1 (0.68) MAP2K1MAP2K2BRAFCHRM2CHRM1
Acetic Acid SCHEMBL1488320 0.88 MAP2K1 (0.68) MAP2K1MAP2K2BRAFCHRM2CHRM1
Acetic Acid SCHEMBL29413595 0.88 MAP2K1 (0.68) MAP2K1MAP2K2BRAFCHRM2CHRM1
Acetic Acid SCHEMBL30220963 0.88 MAP2K1 (0.68) MAP2K1MAP2K2BRAFCHRM2CHRM1
SCHEMBL1488322 0.85 MAP2K1 (0.57) MAP2K1MAP2K2BRAFCHRM2CHRM1
SCHEMBL1489187 0.85 MAP2K1 (0.57) MAP2K1MAP2K2BRAFCHRM2CHRM1

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 claimed
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