SCHEMBL29643048

SCHEMBL29643048

NC(=O)c1cnc2c(-c3cnn(CC(F)(F)F)c3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.47
▸ STAMBP O95630 1/20 0.47
▸ COPS5 Q92905 1/20 0.47
▸ GRM2 Q14416 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PDK2 Q15119 10/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ PIM1 P11309 3/20 0.38
▸ PIM3 Q86V86 3/20 0.38
▸ PIM2 Q9P1W9 3/20 0.38
▸ TYRO3 Q06418 1/20 0.37

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
SCHEMBL30290260 0.77 PSMD14 (0.53) PSMD14STAMBPCOPS5KCNH2PARP1
SCHEMBL31182236 0.76 METAP2 (0.50) GRM2NR1I2KCNH2PDK2PIK3CD
SCHEMBL29859763 0.72 CLK2 (0.48) GRM2NR1I2KCNH2PDK2PIM1
SCHEMBL26424534 0.71 ACHE (0.45) GRM2NR1I2KCNH2PDK2
SCHEMBL7451848 0.71 PSMD14 (0.61) PSMD14STAMBPCOPS5PARP1
SCHEMBL29743564 0.70 PDK2 (0.46) PDK2
SCHEMBL31156545 0.70 L3MBTL1 (0.41) GRM2NR1I2KCNH2PDK2PIK3R2
SCHEMBL29688144 0.69 PSMD14 (0.66) PSMD14STAMBPCOPS5GRM2PARP1
SCHEMBL19346770 0.69 PSMD14 (0.66) PSMD14STAMBPCOPS5GRM2PARP1
SCHEMBL29643192 0.68 PSMD14 (0.53) PSMD14STAMBPCOPS5PARP1

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-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 — — EP claimed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 — — WO claimed
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