SCHEMBL2277852

SCHEMBL2277852

c1ccc(CN2CCC(n3c(-c4cccnc4)nc4cnc5[nH]ccc5c43)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.75
JAK2 O60674 13/20 0.75
JAK3 P52333 15/20 0.60
TYK2 P29597 10/20 0.60
LMNA P02545 1/20 0.49
GBA1 P04062 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AURKA O14965 1/20 0.49
PRKCA P17252 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL12385291 0.86 JAK1 (0.82) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2225210 0.86 JAK2 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2277822 0.83 JAK2 (0.70) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12385383 0.81 JAK1 (0.58) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2295228 0.81 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL2274296 0.81 JAK1 (0.76) JAK1JAK2JAK3TYK2
SCHEMBL12385332 0.81 JAK1 (0.76) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2296561 0.81 JAK1 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL12385225 0.80 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12385315 0.80 JAK1 (0.75) JAK1JAK2JAK3TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed