SCHEMBL20116708

SCHEMBL20116708

CC(C)n1ncc2ccc(-c3noc(C4(F)CCN(C=O)CC4)n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.37
SMO Q99835 1/20 0.33
PIK3CD O00329 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PTGER3 P43115 1/20 0.32
HDAC4 P56524 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
AOC3 Q16853 2/20 0.30
FASN P49327 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL22357935 0.84 PIK3CD (0.36) KITPIK3CDBRD4CREBBPPTGER3
SCHEMBL20116152 0.84 KIT (0.40) KITSMOPTGER3HDAC4FASN
SCHEMBL20676639 0.82 MAPT (0.37) PIK3CDBRD4CREBBPPTGER3CDK8
SCHEMBL22357929 0.82 KIT (0.36) KITSMOPTGER3HDAC4FASN
SCHEMBL20116156 0.82 KIT (0.36) KITSMOPTGER3HDAC4FASN
SCHEMBL22357933 0.82 HDAC4 (0.43) HDAC4
SCHEMBL20116148 0.82 KIT (0.36) KITSMOPTGER3HDAC4FASN
SCHEMBL20116155 0.81 GPR119 (0.36) KITSMOPIK3CDPTGER3
SCHEMBL20117183 0.81 MAPT (0.40) PIK3CDPTGER3
SCHEMBL20116749 0.79 NR1H4 (0.45) SMOPTGER3

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