SCHEMBL19982764

SCHEMBL19982764

COc1cc(Nc2nc3c(N4CCC(NSC)CC4)nccn3n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.40
PTK2 Q05397 9/20 0.40
JAK3 P52333 8/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ZAP70 P43403 2/20 0.36
SYK P43405 1/20 0.36
NUAK1 O60285 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
TP53 P04637 1/20 0.35
IGF1R P08069 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
SCHEMBL19502 0.86 JAK2 (0.41) JAK2PTK2JAK3CCNCCDK8
SCHEMBL15210501 0.86 JAK2 (0.41) JAK2PTK2JAK3CCNCCDK8
SCHEMBL15221237 0.85 JAK2 (0.39) JAK2PTK2JAK3CCNCCDK8
SCHEMBL16394499 0.85 JAK2 (0.47) JAK2PTK2JAK3CCNCCDK8
SCHEMBL20350 0.84 JAK2 (0.43) JAK2PTK2JAK3ZAP70SYK
SCHEMBL15210458 0.83 JAK2 (0.55) JAK2PTK2JAK3
SCHEMBL15210803 0.82 JAK3 (0.42) JAK2PTK2JAK3CCNCCDK8
SCHEMBL19160 0.82 JAK2 (0.42) JAK2PTK2JAK3
SCHEMBL15210398 0.82 JAK2 (0.50) JAK2PTK2JAK3KDR
SCHEMBL24486 0.79 JAK2 (0.42) JAK2PTK2JAK3ZAP70SYK

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-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed