SCHEMBL7993801

SCHEMBL7993801

COc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN(C)C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.75
FLT1 P17948 5/20 0.54
FLT4 P35916 5/20 0.54
PRKD1 Q15139 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 4/20 0.44
HTR6 P50406 3/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
QPCT Q16769 3/20 0.41
ALPL P05186 1/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39

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
SCHEMBL7990876 0.88 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7512866 0.87 KDR (0.60) KDRFLT1FLT4PRKD1TDP1
SCHEMBL7987071 0.86 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7553991 0.85 KDR (1.00) KDRFLT1FLT4PRKD1TDP1
SCHEMBL7545744 0.85 KDR (0.75) KDRFLT1FLT4GSK3BPIK3CA
SCHEMBL7986701 0.85 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7986894 0.85 KDR (0.74) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7507635 0.84 KDR (0.73) KDRFLT1FLT4TDP1HTR6
SCHEMBL7550053 0.84 KDR (0.75) KDRFLT1FLT4HTR6ALPL
SCHEMBL7990663 0.83 KDR (0.73) KDRFLT1FLT4HTR6ALPL

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed