SCHEMBL24866852

SCHEMBL24866852

CC(C)Cc1ccc(Nc2ncc(S(=O)(=O)c3ccncc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NAMPT P43490 5/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
MAPK1 P28482 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
SCHEMBL24867214 0.81 RAB9A (0.43) SMN1; SMN2RAB9APTGS1PTGS2LMNA
SCHEMBL24867240 0.80 BRAF (0.42) RAB9AMEN1KMT2AMAPK1
SCHEMBL24867213 0.79 TSHR (0.42) POLBALDH1A1RAB9ALMNAHPGD
SCHEMBL24866873 0.78 S1PR1 (0.42) RAB9AMAPK1
SCHEMBL24867486 0.78 RAB9A (0.44) RAB9AMEN1KMT2AMAPK1
SCHEMBL24867211 0.77 SCN9A (0.45) RAB9AMAPK1
SCHEMBL24867210 0.76 RAB9A (0.37) RAB9AMAPK1
SCHEMBL24867190 0.76 RAB9A (0.47) KDM4ETP53SMN1; SMN2POLBALDH1A1
SCHEMBL24867174 0.76 GAA (0.49) KDM4ETP53SMN1; SMN2ALDH1A1RAB9A
SCHEMBL30130213 0.74 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