SCHEMBL9959475

SCHEMBL9959475

CCOC(C)n1cc(-c2c(C)c(Cl)c(F)c(CCN)c2-c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MAP3K5 Q99683 2/20 0.34
CD274 Q9NZQ7 1/20 0.32
CREBBP Q92793 2/20 0.31
BRD4 O60885 1/20 0.30
MET P08581 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9929511 0.69 JAK2 (0.50) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL9929348 0.66 JAK2 (0.45) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL9929113 0.66 JAK2 (0.49) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL25245334 0.66 JAK2 (0.49) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL22128054 0.65 JAK2 (0.48) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL38651468 0.65 JAK2 (0.43) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL26074490 0.65 CD274 (0.50) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL31423952 0.64 JAK2 (0.46) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL31423928 0.64 JAK2 (0.48) JAK2JAK1TYK2JAK3MAP3K5
SCHEMBL31423874 0.64 JAK2 (0.50) JAK2JAK1TYK2JAK3MAP3K5

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-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed