SCHEMBL28895160

SCHEMBL28895160

O[C@H]1CC[C@@H](Nc2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.48
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 2/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CHEK1 O14757 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
PRKCG P05129 1/20 0.48
CDK1 P06493 1/20 0.48
FES P07332 1/20 0.48

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
SCHEMBL30085671 1.00 CDC7 (0.48) CDC7PIM1PIM2DYRK1ACLK4
SCHEMBL30085793 1.00 CDC7 (0.48) CDC7PIM1PIM2DYRK1ACLK4
SCHEMBL28895048 1.00 CDC7 (0.48) CDC7PIM1PIM2DYRK1ACLK4
SCHEMBL28895052 1.00 CDC7 (0.48) CDC7PIM1PIM2DYRK1ACLK4
SCHEMBL28894894 0.90 GBA1 (0.51) CDC7DYRK1ACLK4CHEK1MAPK13
SCHEMBL30085846 0.90 GBA1 (0.51) CDC7DYRK1ACLK4CHEK1MAPK13
SCHEMBL28895196 0.89 PIM1 (0.45) PIM1DYRK1ACLK4GBA1PPARG
SCHEMBL28895197 0.89 PIM1 (0.45) PIM1DYRK1ACLK4GBA1PPARG
SCHEMBL30085464 0.89 PIM1 (0.45) PIM1DYRK1ACLK4GBA1PPARG
SCHEMBL28894682 0.87 IKBKB (0.51) PIM1DYRK1ACLK4CHEK1FLT3

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-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN claimed