SCHEMBL2341503

SCHEMBL2341503

C[C@H](NC(=O)Oc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.39
JAK2 O60674 5/20 0.39
JAK1 P23458 4/20 0.39
SYK P43405 3/20 0.37
CYP2C9 P11712 1/20 0.37
PRKCI P41743 1/20 0.34
MAP4K1 Q92918 1/20 0.33
AXL P30530 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL2341691 0.91 SYK (0.43) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2344717 0.88 SYK (0.37) JAK3SYKCYP2C9PRKCIMAP4K1
SCHEMBL2280571 0.87 JAK3 (0.54) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2348276 0.85 SYK (0.38) SYKPRKCIMAP4K1
SCHEMBL2349820 0.84 ATR (0.45) JAK3JAK2PRKCIATR
SCHEMBL2350193 0.84 SYK (0.38) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2344505 0.84 MAP4K1 (0.36) JAK3SYKCYP2C9PRKCIMAP4K1
SCHEMBL2275385 0.81 SYK (0.55) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2343568 0.79 CNR2 (0.40) JAK2SYKATR
SCHEMBL2282175 0.79 JAK3 (0.51) JAK3SYKCYP2C9PRKCI

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-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed