SCHEMBL31067682

SCHEMBL31067682

COc1cc2nccc(Nc3ccc(NC(=O)Nc4ccccc4Br)cc3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 13/20 0.74
KDR P35968 14/20 0.62
EGFR P00533 4/20 0.57
GAK O14976 2/20 0.57
KIT P10721 1/20 0.53
BMPR1B O00238 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
SRC P12931 1/20 0.53
EPHA1 P21709 1/20 0.53
EPHA8 P29322 1/20 0.53
ACVR1 Q04771 1/20 0.53
MAP2K5 Q13163 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
HTR2C P28335 1/20 0.52
HTR2B P41595 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
SCHEMBL31067620 0.91 PDGFRA (0.78) PDGFRAKDREGFRGAKBMPR1B
SCHEMBL31067675 0.89 KDR (0.75) PDGFRAKDREGFRGAKKIT
SCHEMBL31067626 0.88 PDGFRA (0.81) PDGFRAKDREGFRGAKKIT
SCHEMBL31067654 0.88 PDGFRA (0.75) PDGFRAKDREGFR
SCHEMBL31067659 0.88 PDGFRA (0.74) PDGFRAKDREGFRHTR2CHTR2B
SCHEMBL31067604 0.88 PDGFRA (0.74) PDGFRAKDREGFRGAKBMPR1B
SCHEMBL31067686 0.86 EGFR (0.76) PDGFRAKDREGFRGAKKIT
SCHEMBL31067639 0.85 PDGFRA (1.00) PDGFRAKDREGFRGAKBMPR1B
SCHEMBL31067687 0.85 PDGFRA (0.83) PDGFRAKDREGFRGAKBMPR1B
SCHEMBL31067691 0.85 KDR (0.79) KDREGFRKIT

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
CN-118530175-A PDGFR inhibitor and preparation method and application thereof 中国药科大学 2024-08-23 CN disclosed