SCHEMBL2017119

SCHEMBL2017119

O=CCc1cc(Cl)c2cccnc2c1N1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
HTT P42858 8/20 0.41
MAPT P10636 7/20 0.41
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
NPSR1 Q6W5P4 7/20 0.41
RAB9A P51151 7/20 0.41
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 6/20 0.41
KMT2A Q03164 3/20 0.41
HSP90AA1 P07900 2/20 0.41
L3MBTL1 Q9Y468 7/20 0.40
MAPK1 P28482 2/20 0.40
CDK1 P06493 1/20 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

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
SCHEMBL2013917 0.86 METAP2 (0.43) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2013609 0.85 MAPT (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2016552 0.84 METAP2 (0.43) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2014016 0.84 MAPT (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2016713 0.83 METAP2 (0.42) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2018198 0.82 METAP2 (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2017794 0.81 MAPT (0.61) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2012631 0.80 MAPT (0.40) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2012485 0.80 METAP2 (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2013576 0.80 METAP2 (0.42) METAP2HTTMAPTLMNASMN1; 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 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