SCHEMBL6738636

SCHEMBL6738636

CN1CCN(Cc2ccnc(-c3ccc4cccnc4c3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.58
GNRHR P30968 1/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MC4R P32245 1/20 0.40
MET P08581 2/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
METAP2 P50579 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CXCR4 P61073 1/20 0.39
GSK3B P49841 1/20 0.39
KIT P10721 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
SCHEMBL6743939 0.79 CHKA (0.51) CHKAGNRHRABL1SRCMETAP2
SCHEMBL6736739 0.78 CHKA (0.50) CHKAGNRHRMETABL1SRC
SCHEMBL13499600 0.77 CHKA (0.90) CHKAGNRHRMC4RMET
SCHEMBL6741474 0.76 CHKA (0.66) CHKAMETSRCTNIK
SCHEMBL15111957 0.73 CHKA (0.61) CHKAGNRHR
SCHEMBL23652808 0.71 MEN1 (0.61) CHKA
Hydrochloric Acid SCHEMBL4768371 0.70 PDGFRB (0.48) JAK2JAK3
SCHEMBL8038019 0.70 MC4R (0.51) CHKAMC4RMETAP2
SCHEMBL25259256 0.69 CHKA (0.53) CHKA
SCHEMBL6480799 0.69 ASIC3 (0.54) GSK3B

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
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed