SCHEMBL7986701

SCHEMBL7986701

COc1ccc2c(c1)c(-c1cncc(-c3ccc(Cl)cc3)c1)cn2CCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
PRKD1 Q15139 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GSK3B P49841 8/20 0.45
HTR6 P50406 5/20 0.44
QPCT Q16769 7/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 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
SCHEMBL7990591 0.94 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7990876 0.94 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7512866 0.90 KDR (0.60) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7993919 0.90 KDR (0.58) KDRHTR6
SCHEMBL7993991 0.90 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7988211 0.89 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7546697 0.88 KDR (0.53) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7987071 0.87 KDR (0.56) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7549158 0.85 KDR (0.69) KDRPRKD1TDP1GSK3BHTR6
SCHEMBL7557158 0.85 KDR (0.71) KDRPRKD1TDP1GSK3BHTR6

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