SCHEMBL24866869

SCHEMBL24866869

CC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3OC3CCCC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.42
ACACB O00763 7/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HDAC3 O15379 2/20 0.38
CDK9 P50750 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RAB9A P51151 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
SCHEMBL24867303 0.88 ADRB1 (0.38) PDE4AACACBADRB1ADRB3
SCHEMBL24867300 0.88 PDE4A (0.42) PDE4AADRB1ADRB3
SCHEMBL24867490 0.85 ACACB (0.43) ACACB
SCHEMBL24867299 0.83 PDE4A (0.39) PDE4AACACBADRB1ADRB3
SCHEMBL24867489 0.82 CDK2 (0.38) ACACBHDAC3HDAC1HDAC6RAB9A
SCHEMBL24867301 0.82 PDE4A (0.38) PDE4AACACBADRB1ADRB3HDAC3
SCHEMBL24866886 0.81 HDAC3 (0.41) ACACBHDAC3HDAC1HDAC6RAB9A
SCHEMBL24866925 0.80 VNN1 (0.46) ACACBHDAC3HDAC1HDAC6RAB9A
SCHEMBL24866928 0.80 VNN1 (0.46) ACACBHDAC3HDAC1HDAC6RAB9A
SCHEMBL24867208 0.79 HDAC3 (0.41) ACACBHDAC3HDAC1HDAC6RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283488-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 WO disclosed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed