SCHEMBL20306

SCHEMBL20306

COc1cc(Nc2nc3c(N)nc(CCN)cn3n2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.34
PTK2 Q05397 7/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
ZAP70 P43403 6/20 0.34
SYK P43405 6/20 0.34
JAK3 P52333 4/20 0.34
SRC P12931 1/20 0.34
KARS1 Q15046 2/20 0.33
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL15207754 0.85 KDR (0.34) JAK2ZAP70SYKSRC
SCHEMBL21784 0.79 SLC2A1 (0.42) PTK2EGFR
SCHEMBL20305 0.74 ZAP70 (0.38) BCDIN3DZAP70SYKSRCKARS1
SCHEMBL20262 0.74 MAPT (0.46) BCDIN3DEGFR
SCHEMBL21196 0.72 SYK (0.39) ZAP70SYK
SCHEMBL20644 0.72 KCNH3 (0.44) JAK2JAK3
SCHEMBL22265 0.71 NOS1 (0.44) SYK
SCHEMBL19884 0.70 MAPT (0.41) PTK2SYK
SCHEMBL23412 0.69 ZAP70 (0.53) JAK2PTK2ZAP70SYKKARS1
SCHEMBL19908 0.68 MAPT (0.44) JAK2PTK2BCDIN3DJAK3

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