SCHEMBL2200727

SCHEMBL2200727

COc1cc(-c2ncc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.44
FGFR1 P11362 6/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 2/20 0.39
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
KDR P35968 2/20 0.37
PDE1B Q01064 1/20 0.37
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CDK6 Q00534 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
NUAK1 O60285 1/20 0.35
MARK3 P27448 1/20 0.35
MARK2 Q7KZI7 1/20 0.35

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
SCHEMBL2197955 0.97 ACVR1 (0.45) ACVR1FGFR1HRH3KCNH2FGFR4
SCHEMBL1044786 0.88 ACVR1 (0.42) ACVR1FGFR1HRH3KCNH2FGFR2
SCHEMBL1046311 0.85 ACVR1 (0.42) ACVR1FGFR1HRH3KCNH2FGFR2
SCHEMBL1046069 0.84 ACVR1 (0.44) ACVR1FGFR1HRH3KCNH2PDE1B
SCHEMBL2196472 0.81 MAPKAPK5 (0.53) FGFR1HRH3FGFR2FGFR4FGFR3
SCHEMBL12618630 0.77 FGFR1 (0.42) ACVR1FGFR1HRH3KCNH2FGFR2
SCHEMBL1048208 0.75 MAPKAPK5 (0.49) MAPKAPK2KDM1AMAPKAPK5
SCHEMBL12618649 0.74 ACVR1 (0.41) ACVR1FGFR1HRH3KCNH2FGFR2
SCHEMBL12618627 0.73 ACVR1 (0.42) ACVR1FGFR1HRH3KCNH2MAPKAPK2
SCHEMBL1047450 0.73 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3KDR

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-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed