SCHEMBL9952226

SCHEMBL9952226

Cc1c(Cl)cc(CCNc2ncnc3[nH]cnc23)c(C)c1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.38
LMNA P02545 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 3/20 0.35
GALR3 O60755 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
PIK3CD O00329 3/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9952453 0.81 PIK3CD (0.42) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9960559 0.81 ALDH1A1 (0.36) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9952100 0.80 PIK3CD (0.42) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9960530 0.79 HTT (0.35) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL21986440 0.78 CCNC (0.38) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9929350 0.78 PIK3CD (0.46) PIK3CD
SCHEMBL9952812 0.77 PIK3CD (0.40) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9952996 0.77 STK4 (0.38) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9960475 0.77 PIK3CD (0.43) HTTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL9953808 0.76 PIK3CD (0.38) HTTLMNASMN1; SMN2TSHRHSD17B10

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