SCHEMBL4476674

SCHEMBL4476674

COc1cc2c(Oc3ccc(NC(=O)NCCC(C)(C)C)cc3)ccnc2cc1OCCN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 14/20 0.60
FGFR2 P21802 3/20 0.57
KDR P35968 11/20 0.56
MET P08581 3/20 0.53
KIT P10721 2/20 0.53
HDAC1 Q13547 1/20 0.52

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
Hydrochloric Acid SCHEMBL4488357 0.99 PDGFRA (0.60) PDGFRAFGFR2KDRMETKIT
SCHEMBL4472967 0.96 PDGFRA (0.60) PDGFRAFGFR2KDRMET
Hydrochloric Acid SCHEMBL4483716 0.95 PDGFRA (0.59) PDGFRAFGFR2KDRMET
SCHEMBL4475887 0.95 PDGFRA (0.59) PDGFRAFGFR2KDRMETHDAC1
Hydrochloric Acid SCHEMBL4480021 0.95 PDGFRA (0.58) PDGFRAFGFR2KDRMETHDAC1
SCHEMBL4471841 0.94 PDGFRA (0.65) PDGFRAFGFR2KDRMETKIT
Hydrochloric Acid SCHEMBL4476484 0.93 PDGFRA (0.64) PDGFRAFGFR2KDRMETKIT
SCHEMBL4465009 0.93 FGFR2 (0.68) PDGFRAFGFR2KDRMET
SCHEMBL4482846 0.93 FGFR2 (0.68) PDGFRAFGFR2KDRMET
Hydrochloric Acid SCHEMBL4465541 0.92 FGFR2 (0.68) PDGFRAFGFR2KDRMET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US claimed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed