SCHEMBL26120478

SCHEMBL26120478

O=C(O)N1CC(Nc2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.47
▸ CDK12 Q9NYV4 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ HCRTR1 O43613 13/20 0.41
▸ EGFR P00533 1/20 0.40
▸ HCRTR2 O43614 9/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27233778 0.89 CDK12 (0.56) CCNKCDK12PTGDR2HCRTR1TIPARP
SCHEMBL27233705 0.89 CDK12 (0.56) CCNKCDK12PTGDR2HCRTR1TIPARP
SCHEMBL27233710 0.89 CDK12 (0.56) CCNKCDK12PTGDR2HCRTR1TIPARP
SCHEMBL17729543 0.83 CCR6 (0.50) HCRTR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL26126417 0.81 MAPT (0.45) CCNKCDK12HCRTR1EGFRTIPARP
SCHEMBL31581713 0.79 HCRTR1 (0.45) CCNKCDK12PTGDR2HCRTR1HCRTR2
SCHEMBL28214824 0.78 GAA (0.47) HTT
SCHEMBL25226590 0.78 MAPK3 (0.50) CCNKCDK12HCRTR1HCRTR2TIPARP
SCHEMBL30397933 0.78 PTGDR2 (0.42) CCNKCDK12PTGDR2HCRTR1HCRTR2
SCHEMBL21722966 0.76 EPHX2 (0.46) —

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
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 — — WO disclosed
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