SCHEMBL18360668

SCHEMBL18360668

Cc1cc(C2NNC3=C2CN(C(=O)NC2CC(C)CN(Cc4ccccc4Cl)C2)CC3)ccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL18360640 0.85 FAAH (0.40) PRMT5WDR77FAAH
SCHEMBL18360717 0.83 MAPK1 (0.45) MAPK1
SCHEMBL18360586 0.81 PKM (0.37)
SCHEMBL807471 0.79
SCHEMBL18360605 0.79 MAPK1 (0.46) MAPK1KDM4EALDH1A1
SCHEMBL18360685 0.74 MAPK1 (0.44) MAPK1
SCHEMBL18360718 0.74 MAPK1 (0.40) MAPK1
SCHEMBL18360662 0.72 ALDH1A1 (0.35) PRMT5WDR77KDM4EALDH1A1
SCHEMBL18360672 0.72
SCHEMBL18360686 0.71 KMT2A (0.49)

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