SCHEMBL21067753

SCHEMBL21067753

CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 14/20 0.72
CDK2 P24941 14/20 0.72
CDK5 Q00535 6/20 0.67
CDK5R1 Q15078 5/20 0.67
MAPT P10636 4/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
GSK3A P49840 2/20 0.67
GSK3B P49841 2/20 0.67
MAPK14 Q16539 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CLK2 P49760 1/20 0.62
CDK9 P50750 1/20 0.62
LIMK1 P53667 1/20 0.62
DYRK1A Q13627 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
DYRK1B Q9Y463 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CCNE1 P24864 1/20 0.60

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
SCHEMBL1250351 0.81 CCNA2 (1.00) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1248419 0.80 CCNA2 (1.00) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4478811 0.78 CCNA2 (0.76) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL31415182 0.77 CDK5 (0.73) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL25609669 0.77 CDK5 (0.73) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142253 0.77 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL17208610 0.76 CCNA2 (0.66) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4473692 0.76 CCNA2 (0.85) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4487974 0.76 CCNA2 (0.71) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL26459438 0.76 CDK5 (0.85) CCNA2CDK2CDK5CDK5R1MAPT

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed