SCHEMBL18360586

SCHEMBL18360586

CC1CC(NC(=O)N2CCC3=C(C2)C(c2ccncc2)NN3)CN(Cc2ccccc2F)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL18360686 0.88 KMT2A (0.49) PKMMEN1KMT2A
SCHEMBL18360668 0.81 PRMT5 (0.35)
SCHEMBL806917 0.79
SCHEMBL18360717 0.79 MAPK1 (0.45)
SCHEMBL18360589 0.79
SCHEMBL18360640 0.76 FAAH (0.40)
SCHEMBL18360601 0.75 MEN1 (0.42) MEN1KMT2A
SCHEMBL18360575 0.73 MAPK1 (0.36)
SCHEMBL18360581 0.73
SCHEMBL18360688 0.71

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
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed