SCHEMBL7987165

SCHEMBL7987165

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
KDM1A O60341 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
PRKD1 Q15139 1/20 0.42
GSK3B P49841 6/20 0.41
QPCT Q16769 5/20 0.41
FLT3 P36888 2/20 0.39
HTR6 P50406 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PTPN11 Q06124 1/20 0.38
ICMT O60725 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
ALPL P05186 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
SCHEMBL7990759 0.90 KDR (0.51) KDRKDM1ATDP1PRKD1GSK3B
SCHEMBL7990876 0.90 KDR (0.56) KDRTDP1PRKD1GSK3BQPCT
SCHEMBL7512851 0.89 KDR (0.52) KDRKDM1ATDP1FLT3HTR6
SCHEMBL7507112 0.89 KDR (0.59) KDRTDP1PRKD1FLT3HTR6
SCHEMBL7990591 0.86 KDR (0.53) KDRTDP1PRKD1GSK3BQPCT
SCHEMBL7554511 0.85 KDR (0.51) KDRKDM1AGSK3BQPCT
SCHEMBL7511178 0.85 KDR (0.54) KDRKDM1AGSK3BQPCT
SCHEMBL7549158 0.85 KDR (0.69) KDRTDP1PRKD1GSK3BQPCT
SCHEMBL7986701 0.84 KDR (0.53) KDRTDP1PRKD1GSK3BQPCT
SCHEMBL7512866 0.84 KDR (0.60) KDRTDP1PRKD1GSK3BQPCT

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