SCHEMBL31366845

SCHEMBL31366845

Nc1ncnc(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ADORA1 P30542 2/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
MAP4K4 O95819 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GRM4 Q14833 1/20 0.39
DPP4 P27487 1/20 0.38
HPGD P15428 2/20 0.38
PTK2B Q14289 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16197571 0.85 RAB9A (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8744265 0.83 NPC1 (0.48) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL28606940 0.80 ADORA2A (0.57) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL3421908 0.79 ADORA2A (0.61) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL31461473 0.79 ADORA2A (0.61) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL2493658 0.79 RAB9A (0.61) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL13155157 0.78 MAP4K4 (0.50) ADORA1RAB9AMEN1KMT2AMAP4K4
SCHEMBL30933626 0.78 MAP4K4 (0.50) ADORA1RAB9AMEN1KMT2AMAP4K4
SCHEMBL31528318 0.78 ADORA2A (0.42) SMN1; SMN2ADORA1RAB9ANPC1MEN1
SCHEMBL4948820 0.78 ADORA2A (0.42) SMN1; SMN2ADORA1RAB9ANPC1MEN1

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-119285947-A Low-temperature curing polyimide precursor solution and preparation method thereof 北京化工大学常州先进材料研究院 2025-01-10 CN claimed