SCHEMBL9953808

SCHEMBL9953808

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.38
TSHR P16473 4/20 0.34
HTT P42858 3/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
LMNA P02545 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.31
PDE5A O76074 2/20 0.31
USP2 O75604 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL9953815 0.92 PIK3CD (0.35) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9952823 0.91 PIK3CD (0.42) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9952881 0.91 PIK3CD (0.42) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9953050 0.89 PIK3CD (0.39) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9952453 0.88 PIK3CD (0.42) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9952100 0.87 PIK3CD (0.42) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9954220 0.87 PIK3CD (0.38) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9952172 0.86 PIK3CD (0.39) PIK3CDTSHRHSD17B10LMNAPDE5A
SCHEMBL9952996 0.86 STK4 (0.38) PIK3CDTSHRHTTHSD17B10SMN1; SMN2
SCHEMBL9960475 0.86 PIK3CD (0.43) PIK3CDTSHRHTTHSD17B10SMN1; 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 4 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 claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
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