SCHEMBL22685253

SCHEMBL22685253

Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C(F)(F)F)nc4C)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 11/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ PTGER4 P35408 4/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ MAPK8 P45983 1/20 0.37

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
SCHEMBL22685312 0.78 BTK (0.38) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685252 0.78 PDE2A (0.32) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685163 0.77 PDE2A (0.44) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685238 0.76 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL22685237 0.75 BTK (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685206 0.74 PDE2A (0.48) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685235 0.74 CLK1 (0.35) IDO1
SCHEMBL22684797 0.73 PDE2A (0.39) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22686819 0.71 TP53 (0.46) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685089 0.71 PDE2A (0.43) PDE2AHDAC3HDAC1HDAC2HDAC6

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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