SCHEMBL25606286

SCHEMBL25606286

O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.55
TTK P33981 5/20 0.53
AURKB Q96GD4 4/20 0.53
INCENP Q9NQS7 4/20 0.53
AURKA O14965 3/20 0.53
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
KIT P10721 3/20 0.50
SRC P12931 3/20 0.50
FLT3 P36888 3/20 0.50
ROCK2 O75116 1/20 0.50
GPR142 Q7Z601 4/20 0.47
PBK Q96KB5 1/20 0.46

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
SCHEMBL10062818 0.88 ITK (0.66) ITKTTKAURKBINCENPAURKA
SCHEMBL10062875 0.86 ITK (0.62) ITKTTKAURKBINCENPAURKA
SCHEMBL16941895 0.80 PRKCZ (0.53) ITKTTKAURKBINCENPAURKA
SCHEMBL25606285 0.79 TTK (0.62) ITKTTKAURKBINCENPAURKA
Hydrochloric Acid SCHEMBL16929551 0.79 PRKCZ (0.52) ITKTTKAURKBINCENPAURKA
Hydrochloric Acid SCHEMBL16929552 0.79 PRKCZ (0.52) ITKTTKAURKBINCENPAURKA
SCHEMBL1552756 0.76 ULK1 (0.56) TNKSTNKS2ROCK2PBK
SCHEMBL16941891 0.75 ITK (0.47) ITKTTKAURKBINCENPAURKA
SCHEMBL11456925 0.74 ITK (0.73) ITKTTKAURKBINCENPAURKA
SCHEMBL11450045 0.73 ITK (0.68) ITKTTKAURKBINCENPAURKA

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed