SCHEMBL24867244

SCHEMBL24867244

Cc1cc(Nc2cnc(Nc3ccc(CC(C)C)cc3)nc2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RX3 P56373 1/20 0.35
NTRK1 P04629 1/20 0.35
CDK2 P24941 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SYK P43405 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AURKA O14965 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.34
HDAC3 O15379 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
SCHEMBL24866862 0.87 HDAC3 (0.48) RAB9ANPC1KDM4EALDH1A1CDK2
SCHEMBL24867262 0.86 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1NTRK1
SCHEMBL24866903 0.86 CDK5 (0.40) KDM4EP2RX3CDK2CDK5CDK5R1
SCHEMBL24867214 0.82 RAB9A (0.43) RAB9ASMN1; SMN2MAPK1
SCHEMBL24867148 0.82 RAB9A (0.40) RAB9ANPC1CDK2CCNA2CDK5
SCHEMBL24866885 0.78 RAB9A (0.52) RAB9AALDH1A1CDK2CCNA2MAPK1
SCHEMBL30130169 0.78 RAB9A (0.52) RAB9AALDH1A1CDK2CCNA2MAPK1
SCHEMBL24867179 0.78 MAPK1 (0.37) RAB9AKDM4ECDK2SMN1; SMN2MAPK1
SCHEMBL30130219 0.77 SYK (0.40) RAB9ASYKMAPK1
SCHEMBL30130213 0.77 SYK (0.40) RAB9ASYKMAPK1

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