SCHEMBL24220431

SCHEMBL24220431

Nc1nc(C(=O)Nc2cc(N3CCNCC3)ccc2Br)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.50
▸ HDAC2 Q92769 8/20 0.50
▸ HDAC1 Q13547 5/20 0.50
▸ KCNH2 Q12809 4/20 0.50
▸ MAPKAPK2 P49137 2/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CHEK1 O14757 2/20 0.39

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
SCHEMBL20339057 0.82 PAICS (0.53) HDAC3HDAC2HDAC1KCNH2MAPKAPK2
SCHEMBL24220430 0.71 PIM1 (0.44) HDAC1CSF1R
SCHEMBL20352018 0.71 ABL1 (0.39) HDAC3HDAC2HDAC1KCNH2MAPKAPK2
SCHEMBL20339062 0.70 PAICS (0.45) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20352035 0.70 PAICS (0.67) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20352118 0.70 PAICS (0.54) HDAC3HDAC2HDAC1KCNH2MAPKAPK2
SCHEMBL24220529 0.69 PAICS (0.49) HDAC3HDAC2KCNH2IRAK4
SCHEMBL20339036 0.69 PAICS (0.42) HDAC3HDAC2KCNH2
SCHEMBL20352082 0.67 PAICS (0.51) HDAC3HDAC2HDAC1KCNH2MAPKAPK2
SCHEMBL15922983 0.67 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2

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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