SCHEMBL29641671

SCHEMBL29641671

c1cnc(-c2nccc(C3CC3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIM1 P11309 8/20 0.40
PIM2 Q9P1W9 8/20 0.40
PIM3 Q86V86 5/20 0.40
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
USP30 Q70CQ3 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL1151829 0.84 PIK3CD (0.55) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL4965296 0.77 PIK3CD (0.52) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL8036551 0.76 PIK3CD (0.51) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL28739251 0.74 PIK3CD (0.42) PIK3CDPIK3CAPIM1PIM2KDM4E
SCHEMBL10284715 0.74 MAP4K4 (0.43) PIK3CDPIK3CAKDM4ENPC1RAB9A
SCHEMBL12615927 0.74 PIK3CD (0.36) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL1509667 0.74 PIK3CD (0.36) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL12696158 0.74 PIK3CD (0.36) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL2036795 0.74 ADORA2A (0.45) KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2367393 0.74 KDM4E (0.44) KDM4ETDP1NPC1RAB9AALDH1A1

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
EP-4007578-A4 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-08-16 EP disclosed
EP-4007578-A1 SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma, Inc. (US) 2022-06-08 EP disclosed