SCHEMBL20116726

SCHEMBL20116726

CC(C)Nc1cc(-c2noc(C3(F)CCN(C=O)CC3)n2)ccc1C=N

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIT P10721 19/20 0.43
SMO Q99835 1/20 0.35

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
SCHEMBL20676645 0.83 KIT (0.40) KITSMO
SCHEMBL20116725 0.81 MAPT (0.39)
SCHEMBL20116798 0.80 KIT (0.42) KITSMO
SCHEMBL20116888 0.78 KIT (0.39) KIT
SCHEMBL20676636 0.76 LMNA (0.46)
SCHEMBL20676544 0.75 ACACB (0.35)
SCHEMBL20116708 0.74 KIT (0.37) KITSMO
SCHEMBL20116872 0.73 MAPT (0.40)
SCHEMBL20116857 0.73 HTT (0.42) KITSMO
SCHEMBL20676436 0.72 USP7 (0.41) KITSMO

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed