SCHEMBL22146347

SCHEMBL22146347

Cc1nc2cc(C#N)ccn2c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
F11 P03951 1/20 0.34
GPR139 Q6DWJ6 1/20 0.32
GRM5 P41594 1/20 0.32
TNKS O95271 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
COMT P21964 1/20 0.31
PDE10A Q9Y233 2/20 0.31

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
SCHEMBL12618996 0.81 KDM4E (0.39) KDM4EALDH1A1GLAGAAAKT1
SCHEMBL12750259 0.79 ALDH1A1 (0.53) KDM4EALDH1A1GAACOMT
SCHEMBL22167597 0.75 ALDH1A1 (0.35) KDM4EALDH1A1COMT
SCHEMBL22152284 0.74 ADORA3 (0.38) KDM4EALDH1A1AKT1AKT2GPR139
SCHEMBL22146342 0.74 TLR9 (0.38) KDM4EALDH1A1COMT
SCHEMBL22152347 0.74 HTR6 (0.37) KDM4EALDH1A1AKT1AKT2COMT
SCHEMBL17541168 0.73 AKT1 (0.34) KDM4EALDH1A1GLAGAAAKT1
SCHEMBL22146349 0.73 USP7 (0.43) KDM4EALDH1A1
SCHEMBL22145959 0.72 TDP1 (0.41) KDM4EALDH1A1GAAAKT1AKT2
SCHEMBL23103297 0.71 PRMT5 (0.39) KDM4EALDH1A1GLAGAAAKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed