SCHEMBL18360693

SCHEMBL18360693

CCC1(NC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)NN3)CCCN(Cc2c(F)cccc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.37
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL18360631 0.90 MAPK1 (0.38) MAPK1PRMT5WDR77
SCHEMBL18360718 0.81 MAPK1 (0.40) MAPK1
SCHEMBL15064740 0.80 MAPK1 (0.43) MAPK1
SCHEMBL18360605 0.78 MAPK1 (0.46) MAPK1
SCHEMBL18360648 0.76 MAPK1 (0.45) MAPK1
SCHEMBL18360717 0.75 MAPK1 (0.45) MAPK1
SCHEMBL18360716 0.74 FAAH (0.36) MAPK1PRMT5WDR77
SCHEMBL18360673 0.73 MAPK1 (0.42) MAPK1
SCHEMBL18360685 0.73 MAPK1 (0.44) MAPK1
SCHEMBL18360672 0.73

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