SCHEMBL21471585

SCHEMBL21471585

O=C(NOPI)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.63
SYK P43405 16/20 0.59
CD63 P08962 2/20 0.59
JAK2 O60674 1/20 0.56
NTRK1 P04629 1/20 0.56
ROS1 P08922 1/20 0.56
CSNK2A2 P19784 1/20 0.56
FLT3 P36888 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
BTK Q06187 1/20 0.56
PTK6 Q13882 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56

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
SCHEMBL21471538 0.90 AURKA (0.66) AURKASYKCD63JAK2NTRK1
SCHEMBL23911841 0.88 AURKA (0.70) AURKASYKCD63JAK2NTRK1
SCHEMBL21471537 0.86 AURKA (0.73) AURKASYKCD63JAK2NTRK1
SCHEMBL21471531 0.85 AURKA (0.66) AURKASYKCD63JAK2NTRK1
SCHEMBL23911842 0.85 AURKA (0.63) AURKASYKCD63JAK2NTRK1
SCHEMBL4336940 0.84 SYK (0.68) AURKASYKCD63JAK2NTRK1
SCHEMBL23911844 0.84 AURKA (0.58) AURKASYKCD63JAK2NTRK1
SCHEMBL3795040 0.84 AURKA (0.64) AURKASYKCD63JAK2NTRK1
SCHEMBL24864097 0.83 SYK (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL2482747 0.82 AURKA (0.77) AURKASYKCD63JAK2NTRK1

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-3553065-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2019-10-16 EP disclosed