SCHEMBL623924

SCHEMBL623924

Cc1nccc(-c2cccc(NC(=O)Nc3cncc(C(=O)NCCCN)c3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.56
SRC P12931 2/20 0.56
EGFR P00533 1/20 0.56
MAPT P10636 3/20 0.55
BCR P11274 4/20 0.54
KDR P35968 2/20 0.46
FGFR3 P22607 1/20 0.46
DNMT3B Q9UBC3 2/20 0.41
ROCK2 O75116 1/20 0.41
MAPK1 P28482 1/20 0.41
PDGFRA P16234 3/20 0.40
PDGFRB P09619 2/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
CNR1 P21554 1/20 0.40
CDK8 P49336 1/20 0.40
KIT P10721 1/20 0.39
CHEK1 O14757 1/20 0.39
CDK7 P50613 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL623623 0.75 KDR (0.53) ABL1SRCEGFRMAPTBCR
SCHEMBL4921357 0.75 MAPT (0.82) MAPTKDRFGFR3DNMT3BMAPK1
SCHEMBL4118606 0.74 MAPT (0.76) ABL1MAPTBCRKDRFGFR3
SCHEMBL624357 0.73 RAB9A (0.51) MAPTCHEK1CDK7
SCHEMBL4123352 0.73 MAPT (0.82) MAPTKDRFGFR3DNMT3BCNR1
SCHEMBL623932 0.73 RAB9A (0.59) MAPTALDH1A1HTT
SCHEMBL6258131 0.72 ABL1 (1.00) ABL1SRCEGFRBCRPDGFRA
SCHEMBL4922831 0.71 MAPT (0.79) MAPTKDRFGFR3DNMT3BCNR1
SCHEMBL4912509 0.71 MAPT (1.00) MAPTCNR1
SCHEMBL627181 0.71 ROCK2 (0.54) ROCK2MAPK1PRKCD

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed