SCHEMBL29946359

SCHEMBL29946359

c1csc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.57
IGF1R P08069 2/20 0.57
DYRK1B Q9Y463 2/20 0.57
CDK5 Q00535 2/20 0.57
CDK8 P49336 2/20 0.57
IKBKB O14920 2/20 0.57
CHUK O15111 2/20 0.57
DAPK3 O43293 1/20 0.57
JAK2 O60674 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PAK4 O96013 1/20 0.57
CSF1R P07333 1/20 0.57
RET P07949 1/20 0.57
FGFR1 P11362 1/20 0.57
PRKACA P17612 1/20 0.57
FLT1 P17948 1/20 0.57
LTK P29376 1/20 0.57
GRK5 P34947 1/20 0.57
KDR P35968 1/20 0.57

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
SCHEMBL858198 1.00 AURKB (0.57) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL12127486 0.91 IGF1R (0.55) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL12127928 0.88 IKBKB (0.63) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL1327887 0.80 CDK8 (0.43) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL2240671 0.78 AURKB (0.71) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL857022 0.77 CDK8 (0.58) CDK5CDK8DAPK3PRKD3MAP4K4
SCHEMBL30173289 0.77 PRKCI (0.50) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL28603796 0.77 PRKCI (0.50) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL1719613 0.75 NUDT1 (0.57) AURKBIGF1RDYRK1BCDK5CDK8
SCHEMBL13885311 0.75 JAK2 (0.54) AURKBIGF1RDYRK1BCDK5CDK8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN claimed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN claimed
CN-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed