SCHEMBL4045102

SCHEMBL4045102

COc1cccc(Nc2[nH]nc3c2C(C)c2cc(OC(C)C)c(OC(C)C)cc2-3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRC P12931 2/20 0.38
EGFR P00533 2/20 0.38
ABL1 P00519 1/20 0.38
CDK1 P06493 1/20 0.38
PRKCA P17252 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
GRM4 Q14833 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4045373 0.91 PDGFRB (0.47) PDGFRBGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4046610 0.87 PDGFRB (0.37) PDGFRBKDM4ESRCEGFRABL1
SCHEMBL4046330 0.87 LCK (0.37) PDGFRBSRCEGFRABL1MEN1
SCHEMBL4041088 0.86 EGFR (0.40) PDGFRBGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4045418 0.84 CHEK1 (0.36) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4042472 0.84 CHEK1 (0.33) PDGFRBMEN1KMT2A
SCHEMBL13146454 0.82 MAPT (0.41) PDGFRBALDH1A1KDM4EHPGDSRC
SCHEMBL4047825 0.82 MAPT (0.41) PDGFRBALDH1A1KDM4EHPGDSRC
SCHEMBL13146470 0.82 MAPT (0.41) PDGFRBALDH1A1KDM4EHPGDSRC
SCHEMBL4042493 0.82 PDGFRB (0.45) PDGFRBGAAALDH1A1SMN1; SMN2KDM4E

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed