SCHEMBL30820496

SCHEMBL30820496

COc1cc2ncnc(Nc3cc(Br)ccc3OC)c2cc1NC(=O)C(F)=CC1CCCN1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.57
ERBB2 P04626 8/20 0.57
KDR P35968 4/20 0.50
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
ERBB4 Q15303 1/20 0.46

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
SCHEMBL27136427 1.00 EGFR (0.57) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30979940 1.00 EGFR (0.57) EGFRERBB2KDRFGFR1FLT1
SCHEMBL27136426 1.00 EGFR (0.57) EGFRERBB2KDRFGFR1FLT1
SCHEMBL27138864 0.92 EGFR (0.53) EGFRERBB2KDRFGFR1FLT1
SCHEMBL27138869 0.92 EGFR (0.53) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30822125 0.88 EGFR (0.49) EGFRERBB2KDRFGFR1FLT1
SCHEMBL24714697 0.86 EGFR (0.52) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30979951 0.86 EGFR (0.52) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30031665 0.86 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL30031034 0.86 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC

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-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 CN disclosed