SCHEMBL6736739

SCHEMBL6736739

CN1CCN(Cc2ccc(-c3ccc4cccnc4c3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.50
LTA4H P09960 1/20 0.45
DYRK1A Q13627 4/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
PAICS P22234 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GSK3B P49841 4/20 0.41
MET P08581 2/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
HRH1 P35367 1/20 0.40
MTOR P42345 1/20 0.40
WNT1 P04628 1/20 0.39
GNRHR P30968 1/20 0.38
METAP2 P50579 1/20 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
SCHEMBL6743075 0.91 HRH3 (0.40) CHKALTA4HDYRK1ACLK2CLK3
SCHEMBL7254329 0.87 HRH3 (0.43) CHKADYRK1AGSK3BMETHRH1
SCHEMBL6742704 0.84 LTA4H (0.47) LTA4HDYRK1AGSK3BMETWNT1
SCHEMBL6743939 0.80 CHKA (0.51) CHKAKDM4EABL1SRCGNRHR
SCHEMBL28318435 0.79 LTA4H (0.52) CHKALTA4HDYRK1ACLK2CLK3
SCHEMBL6738636 0.78 CHKA (0.58) CHKAGSK3BMETABL1SRC
SCHEMBL24247917 0.77 LTA4H (0.47) CHKALTA4HDYRK1ACLK2CLK3
SCHEMBL7254567 0.72 TLR9 (0.48) DYRK1AKDM4EGSK3B
SCHEMBL1331611 0.72 FAAH (0.58) CHKAKDM4E
SCHEMBL13041008 0.72 FAAH (0.58) CHKAKDM4E

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-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed