SCHEMBL24220413

SCHEMBL24220413

CSc1ccc(N2CCN(C(=O)OCCCN(C)C)CC2)cc1NC(=O)c1c[nH]c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 3/20 0.44
▸ SUV39H2 Q9H5I1 4/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ P2RY12 Q9H244 8/20 0.37
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20339061 0.86 PAICS (0.60) PAICSSUV39H2PDE3BPDE3AP2RY12
SCHEMBL20352114 0.81 PAICS (0.56) PAICSPDE3BPDE3AP2RY12MAPT
SCHEMBL20339071 0.76 PAICS (0.59) PAICSSUV39H2
SCHEMBL20339037 0.75 PAICS (0.48) PAICSSUV39H2PDE3BPDE3AP2RY12
SCHEMBL24220497 0.72 PAICS (0.43) PAICSSUV39H2PDE3BPDE3AP2RY12
SCHEMBL20352132 0.70 PAICS (0.59) PAICSMAPTMAPK1HTT
SCHEMBL24220517 0.70 MAPT (0.48) PDE3BPDE3AMAPTMAPK1HTT
SCHEMBL20352021 0.70 PAICS (0.48) PAICSPDE3BPDE3AP2RY12MAPT
SCHEMBL20352111 0.69 SMN1; SMN2 (0.47) PAICSMAPTHTTSMN1; SMN2
SCHEMBL24220501 0.69 GAA (0.54) MAPTMAPK1HTTSMN1; SMN2

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-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
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