SCHEMBL12833558

SCHEMBL12833558

CCc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCC4CCN(CCO)CC4)cc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
MAPK14 Q16539 1/20 0.41
HTR7 P34969 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
FLT3 P36888 1/20 0.39
CARM1 Q86X55 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC2 Q92769 2/20 0.39
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 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
SCHEMBL1509617 0.90 GSK3B (0.54) GSK3BMAPK14HTR7HDAC6CDK4
SCHEMBL12834022 0.88 CHEK2 (0.47) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090502 0.84 GSK3B (0.61) GSK3BCDK4CCNA2CCND1CDK2
SCHEMBL14090462 0.81 GSK3B (0.49) GSK3BHDAC6CDK4CCNA2CCND1
SCHEMBL4964897 0.80 CARM1 (0.51) GSK3BHTR7HDAC6CDK4CCNA2
SCHEMBL12834549 0.80 RAB9A (0.47)
SCHEMBL1509636 0.80 GSK3B (0.56) GSK3BCDK4CCNA2CCND1CDK2
SCHEMBL12833837 0.80 GSK3B (0.56) GSK3BHDAC6CARM1HDAC3HDAC1
SCHEMBL14090464 0.78 GSK3B (0.47) GSK3BHDAC6CDK4CCNA2CCND1
SCHEMBL1509575 0.78 CHEK2 (0.49) GSK3BCARM1CHEK2BCHEACHE

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
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed