SCHEMBL3884081

SCHEMBL3884081

CCCCCC(C)Nc1cnc2cc(OC)c(OC)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.47
PDGFRA P16234 15/20 0.47
EGFR P00533 2/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
PGK1 P00558 2/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL8118643 0.74 PDGFRB (0.62) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL24614203 0.70 PDGFRB (0.60) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL8886903 0.69 IDO1 (0.39) IDO1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL30605581 0.68 ALDH1A1 (0.47) PDGFRBPDGFRAEGFRPGK1ALDH1A1
SCHEMBL24894766 0.68 PDGFRB (0.59) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3395817 0.68 PDGFRB (0.58) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL28296734 0.66 TRPM8 (0.45) PGK1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28296733 0.66 TRPM8 (0.45) PGK1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12844007 0.65 ALDH1A1 (0.50) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3909786 0.64 PDGFRB (1.00) PDGFRBPDGFRAEGFRLCKALDH1A1

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-1687642-B1 Screening methods for combinations of biological compounds CENTELION (FR) 2009-01-14 EP disclosed