SCHEMBL2598441

SCHEMBL2598441

Nc1n[nH]c2c(I)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PDPK1 O15530 5/20 0.38
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL30074472 1.00 CHEK1 (0.39) CHEK1FLT3PLK3PDPK1MAPK1
SCHEMBL14330155 0.73 PLK3 (0.33) CHEK1FLT3PLK3PDPK1MAPK1
SCHEMBL29209781 0.73 GRM4 (0.34) CHEK1FLT3PLK3MAPK1ROCK1
SCHEMBL30900898 0.73 GRM4 (0.34) CHEK1FLT3PLK3MAPK1ROCK1
SCHEMBL2242344 0.69 PDPK1 (0.50) CHEK1FLT3PLK3PDPK1MAPK1
SCHEMBL6155249 0.69 LIMK1 (0.44) CHEK1FLT3PLK3LMNADYRK1A
SCHEMBL23272227 0.68 GAA (0.33) KDRAURKBMAP4K4CSF1RFGFR1
SCHEMBL10370205 0.68 CHEK1 (0.66) CHEK1FLT3PLK3PDPK1MAPK1
Hydrochloric Acid SCHEMBL7166188 0.67 PI4KA (0.45) CHEK1FLT3PLK3LMNADYRK1A
SCHEMBL18417651 0.67 CHEK1 (0.48) CHEK1FLT3PLK3PDPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337660-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
WO-2022240826-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed