SCHEMBL30173140

SCHEMBL30173140

CC(C)(C)n1cnc2c(Cl)nc(F)nc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
YTHDC1 Q96MU7 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 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
SCHEMBL25014486 1.00 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBYTHDC1
SCHEMBL16714533 0.83 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBYTHDC1
SCHEMBL30332427 0.83 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBYTHDC1
SCHEMBL12702562 0.81 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBP2RX7
SCHEMBL13389895 0.80 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBCCNE1
SCHEMBL21126197 0.78 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL21511222 0.78 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL30173097 0.77 CDK1 (0.50) YTHDC1CCNE2CCNE1CDK2
SCHEMBL4378141 0.77 CDK1 (0.50) YTHDC1CCNE2CCNE1CDK2
SCHEMBL12702671 0.76 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBYTHDC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380937-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS Rayzebio, Inc. (US) 2024-06-12 EP disclosed
CN-118176194-A Conjugates comprising covalent binding agents for targeting intracellular proteins 瑞择生物公司 2024-06-11 CN disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed