SCHEMBL24866873

SCHEMBL24866873

CC(C)Cc1ccc(Nc2ncc(C(C)c3ccncc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.39
ALOX5AP P20292 2/20 0.38
ACACB O00763 2/20 0.36
BRAF P15056 6/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 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
SCHEMBL24867214 0.85 RAB9A (0.43) S1PR1S1PR3RAB9AMAPK1ACACB
SCHEMBL24867240 0.83 BRAF (0.42) S1PR1S1PR3RAB9AMAPK1BRAF
SCHEMBL24867213 0.82 TSHR (0.42) RAB9AMAPK1ACACB
SCHEMBL24867211 0.80 SCN9A (0.45) RAB9AMAPK1ACACBBRAF
SCHEMBL24867210 0.79 RAB9A (0.37) S1PR1S1PR3RAB9AMAPK1ACACB
SCHEMBL24867200 0.78 ACACB (0.36) RAB9AMAPK1ACACBBRAF
SCHEMBL24867486 0.78 RAB9A (0.44) RAB9AMAPK1ACACB
SCHEMBL24866852 0.78 KDM4E (0.41) RAB9AMAPK1
SCHEMBL24866870 0.77 RAB9A (0.38) RAB9AMAPK1ACACBBRAFKDR
SCHEMBL30130213 0.77 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