SCHEMBL21781489

SCHEMBL21781489

O=[N+]([O-])c1cnc2sccc2c1C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
PIP4K2A P48426 1/20 0.33
CDK2 P24941 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL9836323 0.75 TDP1 (0.38) MEN1KMT2ACHEK1AURKADAPK3
SCHEMBL9838214 0.74 DYRK1A (0.42) CDK2NPC1RAB9AMEN1KMT2A
SCHEMBL15872608 0.74 GPR35 (0.39) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL15894758 0.70 POLB (0.33) PIP4K2AMEN1KMT2ACHEK1AURKA
SCHEMBL15872850 0.68 ALDH1A1 (0.38) CDK2MEN1KMT2ALCKJAK3
SCHEMBL31403746 0.68 PIK3CA (0.32) CDK2
SCHEMBL22829725 0.68 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AJAK2
SCHEMBL31403652 0.67 JAK2 (0.47) CDK2AURKAJAK2KDRJAK3
SCHEMBL21781564 0.67 GAA (0.36)
SCHEMBL9039810 0.66 HSD17B10 (0.41) NPC1HSD17B10MEN1KMT2A

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
EP-4186897-A1 PYRIDINECARBOXAMIDE COMPOUND USEFUL AS PIM KINASE INHIBITOR Incyte Holdings Corporation (US) 2023-05-31 EP disclosed
EP-3670506-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2023-01-04 EP disclosed
EP-3670506-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS Incyte Holdings Corporation (US) 2020-06-24 EP disclosed
EP-2945939-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2020-03-04 EP disclosed