SCHEMBL30096023

SCHEMBL30096023

CC(C)CC(C)n1ncc2c(N)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.41
RICTOR Q6R327 2/20 0.41
RPTOR Q8N122 2/20 0.41
MAPKAP1 Q9BPZ7 2/20 0.41
MLST8 Q9BVC4 2/20 0.41
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
SLC2A1 P11166 3/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
DHFR P00374 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29399563 0.82 CDK1 (0.44) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL21459294 0.82 CDK1 (0.44) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL130702 0.70 PI4KA (0.56) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL253674 0.69 ADORA2A (0.32) SLC2A1DHFR
SCHEMBL22494329 0.69 MTOR (0.50) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494331 0.69 MTOR (0.50) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL30381902 0.69 MTOR (0.50) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL24500614 0.68 KDM4E (0.42) PI4KAPI4K2BPI4K2API4KBKDM4E
Hydrochloric Acid SCHEMBL29448490 0.68 XDH (0.43) CDK1CCNB1CCNE1CDK2
SCHEMBL31403538 0.67 KDM4E (0.41) MTORRICTORRPTORMAPKAP1MLST8

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
EP-4370517-A1 SYNTHESIS OF CHIRAL SUBSTITUTED PYRAZOLOPYRIMIDINE COMPOUNDS Galderma Holding SA (CH) 2024-05-22 EP disclosed
WO-2023285926-A1 SYNTHESIS OF CHIRAL SUBSTITUTED PYRAZOLOPYRIMIDINE COMPOUNDS Galderma Holding SA (CH) 2023-01-19 WO disclosed