SCHEMBL17919324

SCHEMBL17919324

COc1ccc(Nc2nc3c(C4=C(Oc5ccccc5)C=C=C=C4)nccn3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.49
▸ PTK2 Q05397 13/20 0.49
▸ JAK3 P52333 7/20 0.41
▸ FYN P06241 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL19675 0.85 JAK2 (0.53) JAK2PTK2JAK3FYNPIK3CD
SCHEMBL20773 0.78 JAK2 (0.53) JAK2PTK2JAK3FYNPIK3CD
SCHEMBL21450 0.75 JAK2 (0.52) JAK2PTK2JAK3FYNPIK3CA
SCHEMBL20311 0.74 JAK2 (0.51) JAK2PTK2JAK3
SCHEMBL20556 0.74 JAK2 (0.50) JAK2PTK2JAK3FYN
SCHEMBL24046 0.73 JAK2 (0.55) JAK2PTK2JAK3FYNPIK3CD
SCHEMBL22320 0.73 FYN (0.56) JAK2PTK2JAK3FYNPIK3CD
SCHEMBL21119 0.73 JAK2 (0.52) JAK2PTK2JAK3
SCHEMBL22473 0.72 JAK2 (0.49) JAK2PTK2JAK3FYNPIK3CD
SCHEMBL30618 0.72 JAK2 (0.52) JAK2PTK2JAK3PIK3CAPIK3CB

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 disclosed
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