SCHEMBL19986834

SCHEMBL19986834

CCN1CCN(Cc2ccc(C(=O)NN)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
NR2C2 P49116 2/20 0.53
CLK1 P49759 1/20 0.53
HCK P08631 1/20 0.53
KIT P10721 1/20 0.53
DDR1 Q08345 5/20 0.52
MAPT P10636 1/20 0.51
RET P07949 1/20 0.51
KDR P35968 1/20 0.51
BTK Q06187 1/20 0.51
MAP3K7 O43318 1/20 0.51
MAP4K2 Q12851 1/20 0.51
MAPK14 Q16539 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51

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
SCHEMBL14704588 0.90 MAPK14 (0.56) HTTMAPK1ATMNR2C2CLK1
SCHEMBL16810188 0.89 DDR1 (0.56) HTTMAPK1ATMNR2C2CLK1
SCHEMBL20682530 0.88 DDR1 (0.53) HTTMAPK1ATMNR2C2CLK1
SCHEMBL3311056 0.88 NR1H2 (0.52) HTTMAPK1ATMNR2C2CLK1
SCHEMBL12516831 0.87 DDR1 (0.52) HTTMAPK1ATMNR2C2CLK1
SCHEMBL2313005 0.86 RET (0.51) HTTMAPK1ATMCLK1KIT
SCHEMBL3942805 0.85 MAPT (0.51) HTTMAPK1ATMNR2C2CLK1
Hydrochloric Acid SCHEMBL393146 0.85 RET (0.50) HTTMAPK1ATMCLK1KIT
Hydrochloric Acid SCHEMBL3562574 0.84 RET (0.49) HTTMAPK1ATMCLK1KIT
SCHEMBL20577963 0.82 HTT (0.57) HTTMAPK1ATMNR2C2CLK1

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