SCHEMBL30822644

SCHEMBL30822644

O=c1c2ccccc2ncn1-c1cn[nH]c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 2/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACVR1 Q04771 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRK2 P25098 2/20 0.42
GRK1 Q15835 2/20 0.42
GRK5 P34947 1/20 0.42
HTT P42858 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL29377227 0.79 RAB9A (0.76) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL9953323 0.79 RAB9A (0.76) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL30557125 0.78 HTT (0.61) RAB9ASMN1; SMN2POLBKDM4EHTT
SCHEMBL30822653 0.78 PIK3CD (0.42) RAB9AMEN1KMT2ASMN1; SMN2GRK2
Hydrochloric Acid SCHEMBL30437013 0.78 RAB9A (0.73) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL30516941 0.76 RAB9A (0.61) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL15228845 0.76 RAB9A (0.61) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL16291434 0.74 RAB9A (0.72) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL20886926 0.74 RAB9A (0.72) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL20886963 0.74 RAB9A (1.00) RAB9AMEN1KMT2ASMN1; SMN2GAA

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-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed