SCHEMBL20117272

SCHEMBL20117272

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccc(Cl)cc4)CC3(F)F)n2)ccc1C=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36

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
SCHEMBL20116758 0.93 LDHA (0.40) KITHTTSMN1; SMN2LMNATSHR
SCHEMBL20676473 0.90 KIT (0.36) KITHTTSMN1; SMN2LMNATSHR
SCHEMBL20676700 0.87 KIT (0.39) KITGRM5CPT1A
SCHEMBL20676452 0.84 KIT (0.37) KITMAPTHTTSMN1; SMN2MEN1
SCHEMBL20116362 0.82 MAPT (0.37) KITMAPTHTTSMN1; SMN2MEN1
SCHEMBL20117197 0.81 KIT (0.38) KITSMN1; SMN2LMNATSHRGRM5
SCHEMBL20116888 0.80 KIT (0.39) KITGRM5CPT1A
SCHEMBL20116777 0.80 MAPT (0.37) KITMAPTHTTSMN1; SMN2MEN1
SCHEMBL20117282 0.76 LDHA (0.41) KITSMN1; SMN2LMNATSHRTUBB4A
SCHEMBL20116818 0.75 SMN1; SMN2 (0.40) KITMAPTHTTSMN1; SMN2MEN1

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