SCHEMBL24867191

SCHEMBL24867191

Cc1cc(CC(C)C)ccc1Nc1ncc(C(=O)c2ccncc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.38
KDM4C Q9H3R0 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
KDM6B O15054 1/20 0.36
MAPK3 P27361 1/20 0.35
MAPK1 P28482 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL24866949 0.91 VNN1 (0.41) VNN1KDM4CS1PR1S1PR3KDM6B
SCHEMBL24866940 0.88 VNN1 (0.40) VNN1
SCHEMBL24867178 0.88 VNN1 (0.44) VNN1S1PR1S1PR3MAPK1HDAC3
SCHEMBL24867186 0.88 KDM4C (0.37) VNN1KDM4C
SCHEMBL24866886 0.87 HDAC3 (0.41) VNN1MAPK1HDAC3HDAC1HDAC2
SCHEMBL24867303 0.85 ADRB1 (0.38) KDM4CKDM6B
SCHEMBL24866946 0.82 HDAC3 (0.41) VNN1S1PR1S1PR3MAPK1HDAC3
SCHEMBL24866950 0.82 VNN1 (0.35) VNN1S1PR1S1PR3HDAC3HDAC1
SCHEMBL24866947 0.82 VNN1 (0.35) VNN1S1PR1S1PR3HDAC3HDAC1
SCHEMBL24866871 0.80 MAPK3 (0.36) S1PR1S1PR3MAPK3MAPK1RAB9A

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