SCHEMBL21470484

SCHEMBL21470484

CN1CCN(Cc2ncc(NC=O)cc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.41
NR1H2 P55055 1/20 0.41
SRC P12931 3/20 0.40
EGFR P00533 7/20 0.39
BRAF P15056 7/20 0.39
RET P07949 5/20 0.39
ABL1 P00519 2/20 0.38
KIT P10721 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL21465801 0.82 KIT (0.48) FGFR4SRCEGFRBRAFABL1
SCHEMBL30486114 0.81 EGFR (0.46) FGFR4SRCEGFRBRAFRET
SCHEMBL22065344 0.78 NR1H2 (0.61) FGFR4NR1H2SRCEGFRBRAF
SCHEMBL24533977 0.77 NR1H2 (0.46) FGFR4NR1H2SRCEGFRBRAF
SCHEMBL21465752 0.77 NR1H2 (0.59) NR1H2SRCEGFRBRAFRET
SCHEMBL24534127 0.76 NR1H2 (0.49) FGFR4NR1H2SRCEGFRBRAF
SCHEMBL21470482 0.75 GAA (0.48) FGFR4SRCEGFRBRAFRET
SCHEMBL21470954 0.72 CHEK1 (0.46) BRAFKDM4E
SCHEMBL21471030 0.70 NR1H2 (0.50) FGFR4NR1H2SRCEGFRBRAF
SCHEMBL29037742 0.69 CCNA2 (0.50)

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
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed