SCHEMBL13571708

SCHEMBL13571708

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCn4ccc5c(SC(C)C)ccnc54)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.56
▸ RAD52 P43351 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ RAF1 P04049 1/20 0.54
▸ MAPK14 Q16539 1/20 0.53

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
SCHEMBL2278943 0.91 DDR1 (0.65) DDR1RAD52ATMRAF1MAPK14
SCHEMBL2280488 0.79 DDR1 (0.58) DDR1RAD52HTTMAPK1ATM
SCHEMBL2282782 0.78 DDR1 (0.78) DDR1RAD52ATMRAF1MAPK14
SCHEMBL2280193 0.78 RAD52 (0.75) DDR1RAD52HTTMAPK1ATM
SCHEMBL17208738 0.75 RAD52 (0.71) DDR1RAD52HTTMAPK1ATM
SCHEMBL19986849 0.74 RAD52 (0.81) DDR1RAD52HTTMAPK1ATM
SCHEMBL2276365 0.74 DDR1 (0.70) DDR1RAD52RAF1MAPK14
SCHEMBL2226738 0.74 RAD52 (0.82) DDR1RAD52HTTMAPK1ATM
SCHEMBL14702344 0.73 DDR1 (0.83) DDR1RAD52ATMRAF1MAPK14
SCHEMBL2280492 0.73 DDR1 (0.46) DDR1RAD52HTTRAF1MAPK14

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-2519517-A2 TYPE II RAF KINASE INHIBITORS Dana-Farber Cancer Institute, Inc. (US) 2012-11-07 — — EP disclosed
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