SCHEMBL19986859

SCHEMBL19986859

CN(C)C1CCN(Cc2ccc(C(=O)NF)cc2C(F)(F)F)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.63
ABL1 P00519 6/20 0.54
LYN P07948 3/20 0.54
BCR P11274 3/20 0.54
BRAF P15056 3/20 0.54
CSK P41240 2/20 0.54
MAPK14 Q16539 2/20 0.54
RIPK2 O43353 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
RET P07949 1/20 0.54
PDGFRB P09619 1/20 0.54
ARAF P10398 1/20 0.54
NQO2 P16083 1/20 0.54
EPHA2 P29317 1/20 0.54
EPHB2 P29323 1/20 0.54
ABL2 P42684 1/20 0.54
FRK P42685 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
IRAK1 P51617 1/20 0.54

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
SCHEMBL15382267 0.92 DDR1 (0.63) DDR1ABL1LYNBCRBRAF
SCHEMBL14704629 0.92 DDR1 (0.63) DDR1ABL1LYNBCRBRAF
SCHEMBL14702330 0.89 DDR1 (0.61) DDR1ABL1LYNBCRBRAF
SCHEMBL12518517 0.89 DDR1 (0.61) DDR1ABL1LYNBCRBRAF
SCHEMBL3558415 0.88 DDR1 (0.59) DDR1ABL1LYNBCRBRAF
SCHEMBL15948898 0.88 DDR1 (0.59) DDR1ABL1LYNBCRBRAF
SCHEMBL15859821 0.88 DDR1 (0.59) DDR1ABL1LYNBCRBRAF
SCHEMBL3567113 0.88 DDR1 (0.59) DDR1ABL1LYNBCRBRAF
SCHEMBL15859826 0.88 DDR1 (0.59) DDR1ABL1LYNBCRBRAF
SCHEMBL3714239 0.87 DDR1 (0.59) DDR1ABL1LYNBCRBRAF

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-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 EP disclosed