SCHEMBL3884922

SCHEMBL3884922

O=C(O)c1nnc(-c2ccncc2Nc2ccc(I)cc2F)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.49
MAP2K2 P36507 4/20 0.49
PRKCZ Q05513 1/20 0.49
IARS2 Q9NSE4 1/20 0.49
IDO1 P14902 1/20 0.40

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
SCHEMBL5479761 0.86 MAP2K1 (0.47) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5485434 0.84 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5484776 0.83 MAP2K1 (0.50) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL3887238 0.79 MAP2K1 (0.47) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5475038 0.78 MAP2K1 (0.43) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL1488238 0.78 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL29413415 0.78 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL29682048 0.78 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5485309 0.77 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL24539455 0.75 MAP2K1 (0.56) MAP2K1MAP2K2PRKCZIARS2IDO1

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-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 EP disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 WO disclosed