SCHEMBL24457970

SCHEMBL24457970

Cc1cc(C#N)cc2c1NCC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ PNMT P11086 1/20 0.40
▸ GRM5 P41594 5/20 0.38
▸ KDM1A O60341 1/20 0.32
▸ PARP10 Q53GL7 2/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ TTR P02766 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL17433704 0.76 PARP10 (0.43) DRD2GRM5PARP10PARP11PARP1
SCHEMBL24457975 0.73 MEN1 (0.41) DRD2PNMTGRM5PARP10PARP11
SCHEMBL8651032 0.73 DRD2 (0.46) DRD2PARP10PARP11PARP1ALDH1A1
SCHEMBL24457969 0.73 PARP10 (0.37) GRM5PARP10PARP11PARP1ALDH1A1
SCHEMBL8648955 0.73 PARP10 (0.41) PNMTPARP10PARP11PARP1ALDH1A1
SCHEMBL19684587 0.71 PNMT (0.53) DRD2DRD3PNMT
SCHEMBL24457967 0.70 PARP10 (0.42) KDM1APARP10PARP11PARP1
SCHEMBL14279957 0.70 ACHE (0.48) GRM5PARP1ALDH1A1
SCHEMBL14330930 0.70 ADRA2A (0.41) PARP10PARP11PARP1
SCHEMBL21903872 0.70 KDM1A (0.33) GRM5KDM1APARP10PARP11PARP1

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-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 — — WO disclosed
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