SCHEMBL4593970

SCHEMBL4593970

CN1CCCCC1C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.77
JAK3 P52333 13/20 0.77
JAK1 P23458 5/20 0.77
TYK2 P29597 3/20 0.77
PDGFRB P09619 2/20 0.77
FLT3 P36888 2/20 0.77
IKBKB O14920 2/20 0.77
KIT P10721 1/20 0.77
PDGFRA P16234 1/20 0.77
FLT1 P17948 1/20 0.77
RPS6KB1 P23443 1/20 0.77
FLT4 P35916 1/20 0.77
KDR P35968 1/20 0.77
MAP3K9 P80192 1/20 0.77
PLK4 O00444 1/20 0.77
CIT O14578 1/20 0.77
GAK O14976 1/20 0.77
BUB1 O43683 1/20 0.77
ROCK2 O75116 1/20 0.77
PRKD3 O94806 1/20 0.77

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
SCHEMBL4593971 0.94 JAK2 (0.70) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378034 0.89 JAK2 (0.95) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4382090 0.89 JAK2 (0.84) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378206 0.89 JAK2 (0.84) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL4379072 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL30925304 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL4380116 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL29366461 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL4382715 0.88 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378445 0.87 JAK2 (0.95) JAK2JAK3JAK1TYK2PDGFRB

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed