SCHEMBL5141251

SCHEMBL5141251

Clc1cc2ccc(-c3cccs3)nc2cc1-c1ccn(C2CCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.44
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5084691 0.80 KCNH2 (0.40) KCNH2HRH3KDM4EALDH1A1TDP1
SCHEMBL5142055 0.75 TNK2 (0.35) PLAURHRH3KDM4EALDH1A1HSD17B10
SCHEMBL401211 0.74 KDR (0.51)
SCHEMBL400117 0.73 SRC (0.49) RAB9AKDM4ENPC1ALDH1A1HSD17B10
SCHEMBL399407 0.71 IGF1R (0.59) CYP3A4
Carbamic Acid SCHEMBL19244765 0.69 PIK3CD (0.49)
Carbamic Acid SCHEMBL19244740 0.68 SRC (0.47) KCNH2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL5334701 0.66 IGF1R (0.47) PLAURRAB9AKDM4ENPC1ALDH1A1
SCHEMBL397959 0.66 PIK3CD (0.42)
SCHEMBL1147594 0.66 KDM4E (0.65) RAB9AKDM4ENPC1ALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007531754-A 2007-11-08 JP claimed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP claimed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO claimed
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed