SCHEMBL20117197

SCHEMBL20117197

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)OC4(C)CC4)CC3(F)F)n2)ccc1C=N

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.38
GRM5 P41594 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL20676473 0.83 KIT (0.36) KITGRM5SMN1; SMN2LMNATSHR
SCHEMBL20116888 0.82 KIT (0.39) KITGRM5
SCHEMBL20116758 0.82 LDHA (0.40) KITSMN1; SMN2LMNATSHR
SCHEMBL20117272 0.81 KIT (0.36) KITGRM5SMN1; SMN2LMNATSHR
SCHEMBL20116449 0.79 GRM5 (0.37) KITGRM5SMN1; SMN2LMNATSHR
SCHEMBL20676700 0.78 KIT (0.39) KITGRM5SMO
SCHEMBL20117204 0.77 TBK1 (0.38) KITSMN1; SMN2LMNASMO
SCHEMBL20676503 0.76 S1PR1 (0.34) KIT
SCHEMBL20116836 0.74 SMN1; SMN2 (0.43) KITSMN1; SMN2LMNATSHRSMO
SCHEMBL20676713 0.74 FAAH (0.40) 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 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