SCHEMBL29421237

SCHEMBL29421237

NC(=O)c1cccnc1Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 3/20 0.65
AHR P35869 1/20 0.65
LMNA P02545 1/20 0.64
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KCNH2 Q12809 1/20 0.59
DHODH Q02127 4/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JAK2 O60674 2/20 0.51
JAK3 P52333 1/20 0.51
CDK5 Q00535 3/20 0.48
CDK5R1 Q15078 3/20 0.48

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
SCHEMBL2714517 1.00 MAPT (0.65) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL10644254 0.86 DHODH (0.77) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL479805 0.86 DHODH (0.76) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL29421217 0.84 RAB9A (0.73) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL10642215 0.82 KDM4E (0.56) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL2713370 0.82 LMNA (0.72) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL2717394 0.80 RAB9A (0.59) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL2717010 0.80 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL28282946 0.79 LMNA (0.73) MAPTRAB9ASMN1; SMN2NPC1AHR
SCHEMBL3959565 0.79 RAB9A (0.54) MAPTRAB9ASMN1; SMN2NPC1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149409-A (hetero) aryl amide compound with protein kinase inhibitory activity 中国药科大学 2022-03-08 CN disclosed