SCHEMBL31435635

SCHEMBL31435635

CNC1CCCc2nc(-c3cnn(C)c3)sc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIK3CA P42336 2/20 0.35
CLK2 P49760 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TYRO3 Q06418 4/20 0.34
AXL P30530 3/20 0.33
CREBBP Q92793 2/20 0.33
FYN P06241 1/20 0.33
CHEK1 O14757 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL31435588 0.75 HDAC6 (0.37) PIK3CALRRK2CREBBPCHEK1
SCHEMBL16320096 0.74 PIK3CA (0.39) PIM1PIK3CACLK2LRRK2CREBBP
SCHEMBL31435610 0.68 KDM1A (0.35) PIK3CACLK2LRRK2AXLCREBBP
SCHEMBL31435599 0.66 PSEN1 (0.49) LRRK2TYRO3AXLCREBBPPSEN1
SCHEMBL16320341 0.66 PIK3CA (0.40) PIM1PIK3CALRRK2FYNCHEK1
SCHEMBL31435577 0.65 LRRK2 (0.34) LRRK2TYRO3AXLCREBBPPSEN1
SCHEMBL26765998 0.61 FLT3 (0.38) PIM1PIK3CALRRK2FYNPIK3CD
SCHEMBL31435585 0.61 HDAC6 (0.37) PIK3CACREBBPFYNCHEK1PIK3CD
SCHEMBL25408417 0.60 PIK3CD (0.43) PIM1PIK3CALRRK2AXLFYN
SCHEMBL31435615 0.59 HDAC6 (0.36) PIK3CACREBBPFYNCHEK1PIK3CD

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-119661516-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2025-03-21 CN disclosed