SCHEMBL5737512

SCHEMBL5737512

COc1cc2nc(NCc3cc(F)ccc3F)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.59
PAK4 O96013 10/20 0.53
KDR P35968 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.49
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
SLC2A1 P11166 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3582163 0.94 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3585951 0.92 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3581389 0.89 RET (0.61) RETPAK4KDRABCG2EGFR
SCHEMBL3582018 0.88 RET (0.62) RETPAK4KDRABCG2EGFR
SCHEMBL3584860 0.88 RET (0.59) RETPAK4KDRABCG2EGFR
SCHEMBL3578669 0.87 RET (0.61) RETPAK4KDRABCG2EGFR
SCHEMBL3591149 0.87 RET (0.58) RETPAK4KDRABCG2EGFR
SCHEMBL3578638 0.86 RET (0.64) RETPAK4KDRABCG2EGFR
SCHEMBL13154698 0.86 RET (0.66) RETPAK4KDRABCG2EGFR
SCHEMBL3584700 0.85 RET (0.61) RETPAK4KDRABCG2EGFR

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
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed