SCHEMBL2013837

SCHEMBL2013837

O=C(C1CC1)N1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.37
CCR4 P51679 3/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MPI P34949 1/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
IDE P14735 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2013366 0.97 CCR4 (0.37) BTKCCR4MAPTALDH1A1SMN1; SMN2
SCHEMBL2012342 0.89 MAPT (0.42) MAPTALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL2017050 0.88 SLC40A1 (0.40) MAPTALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL2012273 0.88 HTT (0.39) MAPTALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL2015850 0.87 L3MBTL1 (0.37) CCR4MAPTALDH1A1SMN1; SMN2USP2
SCHEMBL2016487 0.87 GBA1 (0.35) MAPTALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL2015620 0.87 SMO (0.40) BTKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2014635 0.86 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2017028 0.85 LMNA (0.43) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2017422 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2USP2LMNA

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed