SCHEMBL31218654

SCHEMBL31218654

O=Cc1ccnc(-c2cccc3c2CCN3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ PARP1 P09874 3/20 0.36
▸ PARP10 Q53GL7 3/20 0.36
▸ PARP11 Q9NR21 3/20 0.36
▸ KDM1A O60341 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MAPKAPK2 P49137 3/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ RPS6KA4 O75676 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CDK1 P06493 1/20 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
Trifluoroacetic Acid SCHEMBL26097973 0.90 HDAC1 (0.34) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL31161709 0.81 S1PR1 (0.36) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL31161954 0.81 S1PR1 (0.36) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL26098879 0.79 MAPKAPK2 (0.39) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL592671 0.78 PARP11 (0.40) PARP1PARP10PARP11KDM1AHDAC1
SCHEMBL31161725 0.78 S1PR1 (0.42) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL31161276 0.76 S1PR1 (0.36) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL31161295 0.75 S1PR1 (0.37) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL15311970 0.75 ADRA1A (0.46) S1PR1S1PR3PARP1PARP10PARP11
SCHEMBL31161771 0.73 S1PR1 (0.37) S1PR1S1PR3PARP1PARP10PARP11

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
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 — — CN disclosed
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