SCHEMBL29575321

SCHEMBL29575321

FC(F)(F)c1cnc(Nc2cccc3ccccc23)nc1Nc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 1.00
CDC7 O00311 1/20 0.54
ROCK2 O75116 1/20 0.54
MAP4K4 O95819 1/20 0.54
PIM1 P11309 1/20 0.54
PRKACA P17612 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
HIPK2 Q9H2X6 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
SYK P43405 1/20 0.52
AURKA O14965 1/20 0.50
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PTK2 Q05397 2/20 0.48
MAPK3 P27361 5/20 0.48
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CDK2 P24941 1/20 0.47
KDR P35968 2/20 0.47

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
SCHEMBL17545178 1.00 ULK1 (1.00) ULK1CDC7ROCK2MAP4K4PIM1
SCHEMBL1917484 0.82 ULK1 (0.70) ULK1MAPK3
SCHEMBL1917489 0.82 ULK1 (0.70) ULK1MAPK3
SCHEMBL29575332 0.80 ULK1 (0.66) ULK1CDC7ROCK2MAP4K4PIM1
SCHEMBL17547451 0.80 ULK1 (0.66) ULK1CDC7ROCK2MAP4K4PIM1
SCHEMBL19654290 0.78 ULK1 (0.64) ULK1SYKAURKAMAPK3KDR
SCHEMBL17544782 0.77 ULK1 (1.00) ULK1CDK7PTK2CDK1PTK2B
SCHEMBL17547513 0.76 ULK1 (1.00) ULK1CDC7ROCK2MAP4K4PIM1
SCHEMBL29574731 0.76 ULK1 (1.00) ULK1CDC7ROCK2MAP4K4PIM1
SCHEMBL12998612 0.76 PTK2 (0.77) ULK1CDK7PTK2CDK1PTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185868-B1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INST FOR BIOLOGICAL STUDI (US) 2022-04-06 EP disclosed