SCHEMBL7990591

SCHEMBL7990591

COc1ccc(-c2cncc(-c3cn(CCCN(C)C)c4ccc(Cl)cc34)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
PRKD1 Q15139 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 7/20 0.42
QPCT Q16769 6/20 0.42
HTR6 P50406 2/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
ALPL P05186 1/20 0.39
FLT3 P36888 2/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37

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
SCHEMBL7986701 0.94 KDR (0.53) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7988211 0.92 KDR (0.53) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7990876 0.92 KDR (0.56) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7993919 0.92 KDR (0.58) KDRHTR6FLT3FLT1FLT4
SCHEMBL7546697 0.90 KDR (0.53) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7554248 0.88 KDR (0.62) KDRPRKD1TDP1HTR6FLT3
SCHEMBL7993991 0.88 KDR (0.53) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7549158 0.87 KDR (0.69) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7512866 0.86 KDR (0.60) KDRPRKD1TDP1GSK3BQPCT
SCHEMBL7987165 0.86 KDR (0.51) KDRPRKD1TDP1GSK3BQPCT

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