SCHEMBL6681340

SCHEMBL6681340

COc1ccc(-c2n[nH]c3ncnc(Nc4ccc(C)cc4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.57
PDPK1 O15530 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
EGFR P00533 5/20 0.49
PDGFRB P09619 2/20 0.49
KDR P35968 1/20 0.49
TTBK1 Q5TCY1 3/20 0.49
TTBK2 Q6IQ55 3/20 0.49
CDK1 P06493 2/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL6684639 0.89 LMNA (0.57) FGFR1PDPK1LMNAALDH1A1HPGD
SCHEMBL6689654 0.89 FGFR1 (0.57) FGFR1PDPK1LMNAALDH1A1HPGD
SCHEMBL6684888 0.85 EGFR (0.52) LMNAHPGDHTTEGFRTTBK1
SCHEMBL8115114 0.81 EGFR (0.70) EGFRPDGFRBCDK1ABL1PDGFRA
SCHEMBL31236246 0.79 PDPK1 (0.56) FGFR1PDPK1LMNAALDH1A1HPGD
SCHEMBL31236247 0.79 PDPK1 (0.56) FGFR1PDPK1LMNAALDH1A1HPGD
SCHEMBL19507722 0.78 EGFR (0.49) FGFR1LMNAALDH1A1HPGDHTT
SCHEMBL13861667 0.78 TTBK1 (0.52) LMNAEGFRKDRTTBK1TTBK2
SCHEMBL9607661 0.78 F9 (0.67) FGFR1LMNAALDH1A1HPGDHTT
SCHEMBL149528 0.77 KDR (0.52) ALDH1A1HPGDEGFRKDRMEN1

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-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed