Sugi Predict

Sugi Predict / Compounds / SCHEMBL14452011

SCHEMBL14452011

SCHEMBL14452011

COc1ccc(Nc2ncnn3cc(C(=O)NCCCN4CCOCC4)c(C)c23)cc1O

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.83
▸ MAPK14 Q16539 2/20 0.60
▸ MET P08581 1/20 0.58
▸ MAPT P10636 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.48

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
SCHEMBL4047499 0.91 KDR (1.00) KDRMAPK14MET
SCHEMBL4041260 0.89 KDR (0.85) KDRMAPK14METLMNA
SCHEMBL4044490 0.89 KDR (0.85) KDRMAPK14MET
SCHEMBL4052935 0.88 KDR (0.64) KDRMAPK14METMAPTLMNA
SCHEMBL1462075 0.86 KDR (0.79) KDRMAPK14METLMNAMAP2K1
SCHEMBL4044265 0.83 KDR (1.00) KDRMAPK14
SCHEMBL4047256 0.82 KDR (0.89) KDRMAPK14
SCHEMBL1462117 0.82 KDR (0.87) KDRMAPK14MET
SCHEMBL7536628 0.80 KDR (0.68) KDRMAPK14MAP2K1
SCHEMBL1461120 0.80 KDR (0.81) KDRMAPK14MAP2K1

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
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed