SCHEMBL24145

SCHEMBL24145

C1=Nc2cc(-c3nccn4nc(Nc5ccc(N6CCOCC6)cc5)nc34)ccc2CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.51
JAK3 P52333 12/20 0.51
PTK2 Q05397 10/20 0.51
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL20513 0.81 JAK2 (0.55) JAK2JAK3PTK2TP53MAPT
SCHEMBL20626 0.81 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL20266 0.79 JAK2 (0.55) JAK2JAK3PTK2MAPTAURKA
SCHEMBL21597 0.79 JAK2 (0.59) JAK2JAK3PTK2AURKAMAPK10
SCHEMBL16394348 0.78 JAK2 (0.63) JAK2JAK3PTK2
SCHEMBL20703 0.78 JAK2 (0.51) JAK2JAK3PTK2TP53MAPT
SCHEMBL20593 0.77 JAK2 (0.52) JAK2JAK3PTK2TP53MAPT
SCHEMBL20504 0.77 JAK2 (0.74) JAK2JAK3PTK2AURKAMAPK10
SCHEMBL15210529 0.77 JAK2 (0.55) JAK2JAK3PTK2MAPT
SCHEMBL25496 0.77 JAK2 (0.54) JAK2JAK3PTK2AURKAMAPK10

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
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed