SCHEMBL9923472

SCHEMBL9923472

COC(=O)c1c[nH]c2ncc(C)c(C=O)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.43
MAP2K1 Q02750 1/20 0.43
NR4A2 P43354 5/20 0.40
JAK3 P52333 9/20 0.38
JAK2 O60674 7/20 0.38
CREBBP Q92793 1/20 0.36

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
SCHEMBL9923093 0.86 CAMKK2 (0.38) AXLJAK3JAK2
SCHEMBL9923305 0.78 AXL (0.43) AXLMAP2K1NR4A2JAK3JAK2
SCHEMBL9923353 0.75 CHEK1 (0.40)
SCHEMBL31403744 0.74 AXL (0.44) AXLMAP2K1NR4A2JAK3JAK2
SCHEMBL29953241 0.73 MAP2K1 (0.54) AXLMAP2K1NR4A2JAK3JAK2
SCHEMBL29951791 0.72 NR4A2 (0.47) MAP2K1NR4A2CREBBP
SCHEMBL25088402 0.70 NR4A2 (0.49) AXLMAP2K1NR4A2JAK3JAK2
SCHEMBL17818802 0.70 NR4A2 (0.58) AXLMAP2K1NR4A2JAK3JAK2
SCHEMBL3224390 0.68 CHEK1 (0.50) MAP2K1NR4A2JAK3JAK2
SCHEMBL9938466 0.68 AXL (0.64) AXLMAP2K1NR4A2CREBBP

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-2012078802-A1 PREPARATION OF SUBSTITUTED-4,5-DIHYDROPYRROLO[4,3,2-de][2,6]NAPHTHYRIDIN-3(1H)-ONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-14 WO disclosed