SCHEMBL20117284

SCHEMBL20117284

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)CNC(=O)c4cccc(C#N)c4)CC3)n2)ccc1C=N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.42
RORC P51449 2/20 0.41
KIT P10721 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
SCHEMBL20676700 0.89 KIT (0.39) SMORORCKIT
SCHEMBL20117192 0.84 TLR9 (0.51) SMOGAAHTTSMN1; SMN2
SCHEMBL20117068 0.81 RORC (0.41) SMORORCSMN1; SMN2TUBB4ATUBB
SCHEMBL20116836 0.81 SMN1; SMN2 (0.43) SMOKITGAAHTTSMN1; SMN2
SCHEMBL22357869 0.79 RORC (0.43) SMORORCHTTSMN1; SMN2TUBB4A
SCHEMBL20116843 0.79 LMNA (0.46) SMOHTTSMN1; SMN2TUBB4ATUBB
SCHEMBL20116758 0.79 LDHA (0.40) KITGAAHTTSMN1; SMN2TUBB4A
SCHEMBL20116687 0.78 SMN1; SMN2 (0.43) SMOGAAHTTSMN1; SMN2
SCHEMBL20116859 0.77 SMN1; SMN2 (0.44) SMOGAAHTTSMN1; SMN2TUBB4A
SCHEMBL20116690 0.76 GRM5 (0.54) GAAHTTSMN1; SMN2TUBB4ATUBB

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