SCHEMBL5334701

SCHEMBL5334701

c1ccc(-c2ccc3ccc(-c4ccn(C5CCC5)n4)cc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.47
CYP3A4 P08684 9/20 0.47
PLAUR Q03405 1/20 0.38
INSR P06213 2/20 0.37
MAPK3 P27361 2/20 0.37
MAPK1 P28482 2/20 0.37
KDR P35968 2/20 0.37
RIPK2 O43353 1/20 0.37
ROCK2 O75116 1/20 0.37
LATS1 O95835 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
ABCB1 P08183 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37
INSRR P14616 1/20 0.37
FECH P22830 1/20 0.37
MARK3 P27448 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL5367129 0.83 PLAUR (0.40) IGF1RCYP3A4PLAURKDM4EALDH1A1
SCHEMBL29152983 0.79 KMT2A (0.47) PLAURNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5161210 0.73 AHR (0.39) IGF1RPLAURNPC1RAB9AKDM4E
SCHEMBL10039876 0.72 RAB9A (0.55) IGF1RCYP3A4NPC1RAB9AKDM4E
SCHEMBL4503250 0.71 PLAUR (0.55) CYP3A4PLAURINSRKMT2A
SCHEMBL17239582 0.71 KMT2A (0.44) CYP3A4PLAURMAPK1NPC1RAB9A
SCHEMBL3418909 0.69 KEAP1 (0.51) CYP3A4NPC1RAB9AKDM4EALDH1A1
SCHEMBL5084691 0.69 KCNH2 (0.40) MAPK1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL24453776 0.69 RAB9A (0.47) IGF1RCYP3A4NPC1RAB9AKDM4E
SCHEMBL400556 0.69 PIK3CD (0.70) KDRLCKLYNEGFR

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