SCHEMBL9952153

SCHEMBL9952153

CCOc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
CHRM4 P08173 1/20 0.35
POLB P06746 1/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ENPP2 Q13822 1/20 0.34
PIK3CD O00329 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL9953488 0.94 JAK2 (0.38) JAK2JAK1CHRM4TYK2JAK3
SCHEMBL9929111 0.85 PIK3CD (0.41) JAK2JAK1CHRM4TYK2JAK3
SCHEMBL9960484 0.84 PIK3CD (0.35) PIK3CDSMN1; SMN2
SCHEMBL9929366 0.81 PIK3CD (0.48) JAK2JAK1TYK2JAK3PIK3CD
SCHEMBL9952322 0.81 SMN1; SMN2 (0.38) JAK2JAK1CHRM4USP30SMN1; SMN2
Hydrochloric Acid SCHEMBL9952456 0.81 SMN1; SMN2 (0.37) JAK2JAK1CHRM4USP30SMN1; SMN2
SCHEMBL14742531 0.81 SMN1; SMN2 (0.38) JAK2JAK1USP30ENPP2SMN1; SMN2
SCHEMBL14742321 0.81 SMN1; SMN2 (0.38) JAK2JAK1USP30ENPP2SMN1; SMN2
SCHEMBL9952900 0.80 PIK3CD (0.34) PIK3CDSMN1; SMN2
SCHEMBL9954419 0.79 PDE4B (0.41) CHRM4ENPP2SMN1; SMN2

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