SCHEMBL31270652

SCHEMBL31270652

Cc1c(C)c(N)c2[nH]cnc2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.40
CSNK2A1 P68400 3/20 0.39
CSNK2A2 P19784 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2B P67870 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
XDH P47989 2/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GDA Q9Y2T3 1/20 0.35
MAP3K5 Q99683 1/20 0.34
CDK2 P24941 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
SCHEMBL12618885 0.70 PDPK1 (0.44) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL6142564 0.69 PDPK1 (0.37) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL6142566 0.69 PARP1 (0.40) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL3790459 0.69 PDPK1 (0.41) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL15629821 0.69 NOS3 (0.40) PDPK1MEN1KMT2ALMNAPNP
SCHEMBL6876629 0.68 PARP1 (0.42) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL824416 0.67 CSNK2A1 (0.55) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL6581511 0.67 MEN1 (0.51) PDPK1MEN1KMT2ALMNAPNP
SCHEMBL6879377 0.67 NOS3 (0.39) PDPK1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL2515520 0.67 PDPK1 (0.46) PDPK1CSNK2A1CSNK2A2MEN1RAB9A

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
CN-119060537-A Self-lubricating wear-resistant polyphenylene sulfide-based composite material and preparation method thereof 江西聚真科技发展有限公司 2024-12-03 CN claimed
CN-119060537-A Self-lubricating wear-resistant polyphenylene sulfide-based composite material and preparation method thereof 江西聚真科技发展有限公司 2024-12-03 CN disclosed