SCHEMBL19982775

SCHEMBL19982775

Cc1nc2c([nH]1)=CCC=C(Nc1nc3c(-c4ccc(CN5CCOCC5)cc4)nccn3n1)C=2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.41
JAK3 P52333 8/20 0.41
PTK2 Q05397 7/20 0.41
EGFR P00533 1/20 0.35
FLT1 P17948 1/20 0.35
ALOX5 P09917 1/20 0.34
DHODH Q02127 1/20 0.34
AURKA O14965 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.33
CSF1R P07333 1/20 0.33
GPR84 Q9NQS5 3/20 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
SCHEMBL15210836 0.78 JAK2 (0.49) JAK2JAK3PTK2EGFRFLT1
SCHEMBL15210529 0.74 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL15210962 0.68 JAK2 (0.40) JAK2JAK3PTK2EGFRFLT1
SCHEMBL20593 0.64 JAK2 (0.52) JAK2JAK3PTK2
SCHEMBL16394496 0.63 JAK2 (0.51) JAK2JAK3
SCHEMBL20626 0.63 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL20318 0.63 MAPT (0.59) JAK2JAK3PTK2EGFR
SCHEMBL16394396 0.62 JAK2 (0.49) JAK2JAK3PTK2
SCHEMBL13535777 0.61 JAK2 (0.77) JAK2JAK3PTK2
SCHEMBL16394348 0.60 JAK2 (0.63) JAK2JAK3PTK2

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