SCHEMBL5367129

SCHEMBL5367129

Clc1cc2ccc(-c3ccccc3)nc2cc1-c1ccn(C2CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.40
IGF1R P08069 7/20 0.38
CYP3A4 P08684 3/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PAICS P22234 1/20 0.33
ABL1 P00519 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
PRMT5 O14744 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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 0.86 KCNH2 (0.40) KCNH2HRH3ABL1L3MBTL1KDM4E
SCHEMBL5334701 0.83 IGF1R (0.47) PLAURIGF1RCYP3A4MAOAMAOB
SCHEMBL5142055 0.83 TNK2 (0.35) PLAURHRH3KDM4EPRMT5ALDH1A1
SCHEMBL5141251 0.83 PLAUR (0.44) PLAURCYP3A4KCNH2HRH3L3MBTL1
SCHEMBL29152983 0.73 KMT2A (0.47) PLAURDRD2DRD4DRD3HPGD
SCHEMBL396337 0.72 PIK3CD (0.56) ABL1
SCHEMBL400110 0.71 SRC (0.63) IGF1RCYP3A4ABL1L3MBTL1KDM4E
SCHEMBL27678734 0.71 IGF1R (0.35) IGF1RCYP3A4MAOAMAOBKCNH2
SCHEMBL402699 0.70 IGF1R (0.62) IGF1RCYP3A4
SCHEMBL401087 0.69 IGF1R (0.75) IGF1RCYP3A4

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
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed