SCHEMBL9952900

SCHEMBL9952900

CCOc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CNC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.34
HTT P42858 3/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL9953231 0.92 PIK3CD (0.36) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9960484 0.90 PIK3CD (0.35) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9953147 0.88 PIK3CD (0.37) PIK3CDHTT
Trifluoroacetic Acid SCHEMBL9953150 0.86 PIK3CD (0.33) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9953144 0.84 PDE5A (0.35) HTTTSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL9952295 0.83 PIK3CD (0.38) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9928691 0.81 PIK3CD (0.47) PIK3CD
SCHEMBL9952961 0.80 PIK3CD (0.45) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9953848 0.80 PIK3CD (0.43) PIK3CDHTTTSHRSMN1; SMN2HSD17B10
SCHEMBL9952153 0.80 JAK2 (0.37) PIK3CDSMN1; 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