SCHEMBL29627428

SCHEMBL29627428

O=c1[nH]cnc2c1ccn2-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4A O75164 2/20 0.44
KDM4B O94953 2/20 0.44
KDM5C P41229 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
PARP1 P09874 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDPK1 O15530 1/20 0.42
CA12 O43570 1/20 0.42
ALOX15 P16050 1/20 0.42
CA9 Q16790 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MAPT P10636 1/20 0.41
IP6K1 Q92551 1/20 0.39
PTK2 Q05397 4/20 0.39
LDHA P00338 1/20 0.39
CRBN Q96SW2 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL19692167 1.00 GAA (0.47) GAAMAPK1KDM4AKDM4BKDM5C
SCHEMBL20971362 0.83 PARP1 (0.42) KDM4AKDM4BKDM5CKDM5BPARP1
SCHEMBL20971053 0.80 SRC (0.55) GAAMAPK1PARP1SMN1; SMN2PDPK1
SCHEMBL20971165 0.79 TGFBR1 (0.47) GAAPARP1SMN1; SMN2PDPK1CA12
SCHEMBL29630932 0.79 TGFBR1 (0.47) GAAPARP1SMN1; SMN2PDPK1CA12
SCHEMBL32668671 0.77 PARP1 (0.43) KDM4AKDM4BKDM5CKDM5BPARP1
SCHEMBL20586673 0.77 GAA (0.47) GAAMAPK1KDM4AKDM4BKDM5C
SCHEMBL30219918 0.77 GAA (0.47) GAAMAPK1KDM4AKDM4BKDM5C
SCHEMBL20971154 0.76 ALOX5 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL29630995 0.76 ALOX5 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15

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-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN claimed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed