SCHEMBL462242

SCHEMBL462242

CSc1cc(Oc2cccc(F)c2)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
TTK P33981 6/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM4 P08173 1/20 0.32
KCNH2 Q12809 1/20 0.32
BTK Q06187 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ABL1 P00519 1/20 0.31
FYN P06241 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PKMYT1 Q99640 1/20 0.30

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
SCHEMBL462654 0.87 PDE4A (0.36) USP2KMT2ASYKHRH3TTK
SCHEMBL462359 0.85 TTK (0.42) USP2KMT2ASYKTTK
SCHEMBL12468487 0.80 TTK (0.38) SYKTTKCYP3A4
SCHEMBL462101 0.78 TTK (0.42) TTKPARP10PDE4APDE4BPDE4D
SCHEMBL463296 0.76 TTK (0.55) TTKCYP3A4
SCHEMBL463364 0.75 TTK (0.40) TTKCHRM4BTK
SCHEMBL17560054 0.75 TTK (0.46) TTKKCNH2FYNPDE4D
SCHEMBL461869 0.71 TTK (0.55) SYKTTKCYP3A4KDM4EFYN
SCHEMBL470033 0.68 TTK (0.56) TTKCYP3A4FYN
SCHEMBL15560602 0.67 TTK (0.54) TTK

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
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed