SCHEMBL29888709

SCHEMBL29888709

[2H]c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)nc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.51
MAP4K1 Q92918 1/20 0.51
TDO2 P48775 1/20 0.47
DYRK1A Q13627 3/20 0.46
TNKS O95271 3/20 0.46
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
KCNH2 Q12809 1/20 0.45
FGFR3 P22607 1/20 0.44
MAP3K11 Q16584 2/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ABL1 P00519 1/20 0.43
INSR P06213 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HTR3A P46098 1/20 0.42

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
SCHEMBL29889598 0.89 DYRK1A (0.56) IL2MAP4K1TDO2DYRK1ATNKS
SCHEMBL29888836 0.79 RPS6KA3 (0.42) IL2MAP4K1KCNH2MAP3K11IKBKB
SCHEMBL28499630 0.75 FLT3 (0.56) IL2MAP4K1DYRK1AMAP3K11IKBKB
SCHEMBL30376196 0.75 MAP3K11 (0.66) IL2MAP4K1DYRK1AKCNH2MAP3K11
SCHEMBL29652309 0.75 DYRK1A (0.64) DYRK1AFGFR3MAP3K11IKBKBCHUK
Hydrochloric Acid SCHEMBL30313452 0.74 MAP3K11 (0.65) IL2MAP4K1DYRK1AKCNH2MAP3K11
SCHEMBL28502063 0.74 CDK8 (0.52) IL2MAP4K1DYRK1ATNKSMAP3K11
SCHEMBL12821883 0.71 PIK3CA (0.49) DYRK1AMAP3K11IKBKBCHUKABL1
SCHEMBL28506118 0.71 DYRK1A (0.51) MAP4K1DYRK1AMAP3K11IKBKBCHUK
SCHEMBL29652377 0.71 HRH4 (0.57) DYRK1AMAP3K11IKBKBCHUKABL1

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
WO-2022171034-A1 BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-18 WO disclosed