SCHEMBL20749043

SCHEMBL20749043

COC1CCC[C@H]1Nc1cc(N)ncc1C#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
FGFR4 P22455 6/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
PDE1B Q01064 1/20 0.35
TSHR P16473 1/20 0.35
BCL6 P41182 3/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 2/20 0.34
EGFR P00533 2/20 0.32
SRC P12931 2/20 0.32

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
SCHEMBL19630089 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL29740013 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL29740112 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL19629939 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL19629977 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL20740396 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL20740389 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL21346353 1.00 KDM4E (0.42) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL19866713 0.93 MAPT (0.37) KDM4EALDH1A1POLBFGFR4LMNA
SCHEMBL19866714 0.93 MAPT (0.37) KDM4EALDH1A1POLBFGFR4LMNA

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-3444250-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2019-02-20 EP disclosed