SCHEMBL2015791

SCHEMBL2015791

NCCc1cc(Cl)c2cccnc2c1N1CCC(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
KDM4E B2RXH2 6/20 0.41
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TDP1 Q9NUW8 6/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 6/20 0.41
NPSR1 Q6W5P4 6/20 0.41
HTT P42858 6/20 0.41
KMT2A Q03164 5/20 0.41
HSP90AA1 P07900 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MPI P34949 2/20 0.40
NPC1 O15118 5/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL2011741 1.00 METAP2 (0.42) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2054343 0.95 METAP2 (0.42) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2019128 0.93 METAP2 (0.44) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2011476 0.88 METAP2 (0.43) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2011479 0.88 METAP2 (0.43) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2015908 0.85 METAP2 (0.39) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2017653 0.85 METAP2 (0.40) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2012282 0.85 MAPT (0.40) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2014591 0.84 METAP2 (0.44) METAP2KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2014589 0.84 METAP2 (0.44) METAP2KDM4ELMNASMN1; SMN2TDP1

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 1 patent. 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 disclosed