SCHEMBL7136205

SCHEMBL7136205

O=C1Nc2ccc(CCCl)cc2C1=Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FLT3 P36888 3/20 0.44
NPC1 O15118 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PDPK1 O15530 1/20 0.42
LRRK2 Q5S007 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NTRK1 P04629 1/20 0.41
PLK4 O00444 1/20 0.41
PLK1 P53350 1/20 0.41
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
GSK3B P49841 1/20 0.40
TLK2 Q86UE8 2/20 0.40
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL5364290 0.90 MEN1 (0.44) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL5377214 0.87 FLT3 (0.47) MEN1KMT2AFLT3RPS6KA3PDPK1
SCHEMBL7136594 0.85 NPC1 (0.62) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL5361178 0.84 NTRK1 (0.41) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL7139603 0.84 MEN1 (0.49) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL7139419 0.83 MEN1 (0.67) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL14673676 0.82 LRRK2 (0.62) MEN1KMT2ARPS6KA3LRRK2
SCHEMBL14673675 0.82 LRRK2 (0.62) MEN1KMT2ARPS6KA3LRRK2
SCHEMBL14674037 0.81 MEN1 (0.69) MEN1KMT2AFLT3NPC1RPS6KA3
SCHEMBL29638272 0.81 MEN1 (0.69) MEN1KMT2AFLT3NPC1RPS6KA3

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed