SCHEMBL20305

SCHEMBL20305

COc1cc(Nc2nc3c(N)ncc(CCN)n3n2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.38
SYK P43405 3/20 0.38
SRC P12931 1/20 0.38
CDK2 P24941 2/20 0.37
GSK3B P49841 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IGF1R P08069 1/20 0.36
PLK1 P53350 2/20 0.36
CDK4 P11802 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
KARS1 Q15046 2/20 0.35
NUAK1 O60285 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL15207753 0.85 SYK (0.36) ZAP70SYKSRCCDK2GSK3B
SCHEMBL21783 0.79 AURKA (0.43) ZAP70SYKSRCCDK2SMN1; SMN2
SCHEMBL20261 0.74 KDM4E (0.47) ZAP70SYKBCDIN3DSMN1; SMN2ALDH1A1
SCHEMBL20306 0.74 JAK2 (0.34) ZAP70SYKSRCEGFRFGFR1
SCHEMBL21195 0.73 SYK (0.42) ZAP70SYKNUAK1
SCHEMBL20643 0.72 KCNH3 (0.46) PLK1CDK4MAPK1MEN1USP2
SCHEMBL22264 0.72 NOS1 (0.38) ZAP70SYKSRCCDK2PLK1
SCHEMBL19883 0.71 TP53 (0.42) ZAP70SYKSRCCDK2SMN1; SMN2
SCHEMBL15206978 0.68 BRD4 (0.41) CDK2PLK1EGFRMAPK1SMN1; SMN2
SCHEMBL19497 0.68 TNK2 (0.46) SRCCDK2PLK1CDK4EGFR

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-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed