SCHEMBL12801539

SCHEMBL12801539

CCN1CCN(c2ccc(-c3ccnc(Nc4ccc(N5CCNC(=O)C5)c(OC)c4)n3)cc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.53
JAK2 O60674 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ACVR1 Q04771 1/20 0.46
PRKD3 O94806 2/20 0.45
PRKCG P05129 2/20 0.45
PRKCB P05771 2/20 0.45
LCK P06239 2/20 0.45
PRKCA P17252 2/20 0.45
PRKCH P24723 2/20 0.45
PRKCI P41743 2/20 0.45
PRKCE Q02156 2/20 0.45
PRKCQ Q04759 2/20 0.45
PRKCZ Q05513 2/20 0.45
PRKCD Q05655 2/20 0.45
PRKD1 Q15139 2/20 0.45
EGFR P00533 1/20 0.45
CDK4 P11802 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL12274144 0.90 TBK1 (0.55) ZAP70JAK2PDGFRBPDGFRAACVR1
SCHEMBL1667253 0.81 TBK1 (0.54) ZAP70JAK2PRKD3PRKCGPRKCB
SCHEMBL12801104 0.80 JAK2 (0.47) ZAP70JAK2PRKD3PRKCGPRKCB
SCHEMBL1669928 0.79 TBK1 (0.52) ZAP70JAK2PRKD3PRKCGPRKCB
SCHEMBL4379779 0.79 ZAP70 (0.60) ZAP70JAK2PDGFRBPDGFRAACVR1
SCHEMBL4558021 0.78 ZAP70 (0.59) ZAP70JAK2PDGFRBPDGFRAACVR1
SCHEMBL12275103 0.78 TBK1 (0.49) ZAP70JAK2PRKD3PRKCGPRKCB
SCHEMBL4385351 0.77 ZAP70 (0.57) ZAP70JAK2PDGFRBPDGFRAACVR1
SCHEMBL12274385 0.76 TBK1 (0.56) ZAP70JAK2PRKD3PRKCGPRKCB
SCHEMBL12800946 0.75 JAK2 (0.65) JAK2PDGFRAACVR1PRKD3LCK

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed