SCHEMBL9404642

SCHEMBL9404642

O=c1[nH]c2sc3ccc(Br)cc3c2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.41
PIM2 Q9P1W9 3/20 0.41
CHEK1 O14757 2/20 0.40
FLT3 P36888 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL9404641 0.81 PARP1 (0.44) PIM1PIM2HPGDARTYMS
SCHEMBL9404620 0.80 KDM4E (0.42) LMNAARTYMSMIF
SCHEMBL9404646 0.80 PARP1 (0.36) TYMS
SCHEMBL9404644 0.80 PIM1 (0.47) PIM1PIM2LMNAHPGD
Hydrochloric Acid SCHEMBL9404635 0.80 PARP1 (0.42) PIM1PIM2HPGDARTYMS
SCHEMBL9404640 0.76 PIM1 (0.44) PIM1PIM2MIF
SCHEMBL22310755 0.76 EPM2A (0.40) PIM1PIM2CHEK1FLT3AURKA
SCHEMBL1908070 0.75 MAPT (0.46) PIM1PIM2LMNAHPGD
SCHEMBL9404636 0.74 GRIN2D (0.32)
SCHEMBL6238353 0.74 PIM1 (0.44) PIM1PIM2CHEK1FLT3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526588-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1994-03-09 EP claimed
EP-0526588-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
EP-0526588-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1993-02-10 EP disclosed
US-5182279-A Antiepileptic, anticonvulsant, anxiolytic, antiischemic NOVO NORDISK A/S (DK) 1993-01-26 US disclosed
WO-1991016325-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-10-31 WO disclosed