SCHEMBL21781564

SCHEMBL21781564

CCC(C)c1c([N+](=O)[O-])cnc2sccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.33
HTT P42858 4/20 0.33
POLB P06746 3/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.32
PIN1 Q13526 1/20 0.32
ELANE P08246 1/20 0.32
VCAM1 P19320 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PSMD14 O00487 1/20 0.31
MMP2 P08253 1/20 0.31
ALOX12 P18054 1/20 0.31
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.74 TDP1 (0.38) MAPTALDH1A1PIN1KDM4ETDP1
SCHEMBL9838214 0.73 DYRK1A (0.42) MAPTHTTPOLBLMNAALDH1A1
SCHEMBL15872608 0.73 GPR35 (0.39) GAAMAPTHTTPOLBRECQL
SCHEMBL15894758 0.72 POLB (0.33) MAPTHTTPOLBRECQLLMNA
SCHEMBL20072408 0.68 CHEK1 (0.47) GAAMAPTHTTPOLBRECQL
SCHEMBL9039810 0.68 HSD17B10 (0.41) GAAMAPTHTTPOLBLMNA
SCHEMBL16225013 0.67 TDP1 (0.50) MAPTALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL21781489 0.67 CAMKK1 (0.34)
SCHEMBL10480000 0.64 SMN1; SMN2 (0.36) MAPTHTTPOLBLMNAALDH1A1
SCHEMBL31484416 0.64 MEN1 (0.39) GAAMAPTHTTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670506-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2023-01-04 EP disclosed
EP-2945939-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2020-03-04 EP disclosed