SCHEMBL28560915

SCHEMBL28560915

Nc1nc(N)nc(-c2cccc(N3CCCC3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
DHFR P00374 9/20 0.51
ADORA2A P29274 2/20 0.51
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
HRH4 Q9H3N8 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
AGXT P21549 1/20 0.46
PIK3CA P42336 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL15033617 0.88 HPGD (0.51) DHFRADORA2AHSD17B10LMNATSHR
SCHEMBL17029433 0.80 HTR7 (0.51) DHFRHSD17B10USP2LMNATSHR
SCHEMBL6984637 0.77 RAB9A (0.54) RAB9ADHFRADORA2APOLBADORA3
SCHEMBL29415403 0.77 DHFR (0.57) RAB9ADHFRHRH4HSD17B10LMNA
SCHEMBL4801904 0.76 RAB9A (0.73) RAB9AADORA2APOLBADORA3ADORA2B
SCHEMBL28206420 0.75 KDM4E (0.46) RAB9ADHFRHSD17B10TSHRAGXT
SCHEMBL3421554 0.75 RAB9A (0.66) RAB9AADORA2APOLBADORA3ADORA2B
SCHEMBL29913152 0.74 DHFR (0.64) DHFR
SCHEMBL27953454 0.74 DHFR (0.63) DHFR
SCHEMBL15033636 0.73 CHKA (0.44) RAB9APOLBHSD17B10USP2LMNA

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-107850859-B Stripping composition for removing photoresist on semiconductor substrate 富士胶片电子材料美国有限公司 2021-06-01 CN disclosed