SCHEMBL2014635

SCHEMBL2014635

O=C(c1ccc(F)cc1)N1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 6/20 0.39
MAPK8 P45983 4/20 0.39

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
SCHEMBL2017422 0.93 MAPT (0.43) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2017028 0.89 LMNA (0.43) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2015850 0.88 L3MBTL1 (0.37) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2012342 0.87 MAPT (0.42) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2016487 0.86 GBA1 (0.35) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2013837 0.86 BTK (0.37) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2012273 0.86 HTT (0.39) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2013366 0.85 CCR4 (0.37) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2015620 0.85 SMO (0.40) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL2015884 0.84 KDM4E (0.42) LMNAALDH1A1MAPTHTTNPSR1

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