SCHEMBL20116888

SCHEMBL20116888

CC(C)Nc1cc(-c2noc(C3CCN(C=O)CC3(F)F)n2)ccc1C=N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIT P10721 17/20 0.39
CPT1A P50416 1/20 0.34
JAK2 O60674 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL20116798 0.85 KIT (0.42) KIT
SCHEMBL20117197 0.82 KIT (0.38) KITGRM5
SCHEMBL20116758 0.82 LDHA (0.40) KITCPT1A
SCHEMBL20676636 0.82 LMNA (0.46) GRM5
SCHEMBL20676473 0.81 KIT (0.36) KITCPT1ATBK1GRM5
SCHEMBL20117272 0.80 KIT (0.36) KITCPT1AGRM5
SCHEMBL20116726 0.78 KIT (0.43) KIT
SCHEMBL20116857 0.78 HTT (0.42) KIT
SCHEMBL20676700 0.77 KIT (0.39) KITCPT1AGRM5
SCHEMBL20116695 0.76 GRM5 (0.35) KITGRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed