SCHEMBL24867211

SCHEMBL24867211

CC(C)Cc1ccc(Nc2ncc(Oc3ccncc3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
ACACB O00763 4/20 0.44
NPY5R Q15761 1/20 0.40
RAB9A P51151 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
P2RX3 P56373 3/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
BRAF P15056 3/20 0.35

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
SCHEMBL24867281 0.85 ACACB (0.45) SCN9AACACBNPY5R
SCHEMBL24867214 0.83 RAB9A (0.43) ACACBRAB9AMAPK1AKT1BRAF
SCHEMBL24867240 0.82 BRAF (0.42) RAB9AMAPK1BRAF
SCHEMBL24867213 0.81 TSHR (0.42) ACACBRAB9AMAPK1
SCHEMBL24866873 0.80 S1PR1 (0.42) ACACBRAB9AMAPK1BRAF
SCHEMBL24867210 0.78 RAB9A (0.37) ACACBRAB9AMAPK1BRAF
SCHEMBL24867205 0.77 SCN9A (0.54) SCN9ARAB9AKCNH2SCN5AMAPK1
SCHEMBL24867200 0.77 ACACB (0.36) ACACBRAB9AMAPK1BRAF
SCHEMBL24866852 0.77 KDM4E (0.41) RAB9AMAPK1
SCHEMBL30130213 0.76 SYK (0.40) RAB9AMAPK1

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