SCHEMBL27584792

SCHEMBL27584792

CC(C=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.72
CHEK1 O14757 2/20 0.49
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
SRC P12931 1/20 0.44

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
SCHEMBL27584791 0.88 KDR (0.78) KDRCHEK1KITFLT3SRC
SCHEMBL7229090 0.87 KDR (0.75) KDRCHEK1KITFLT3SRC
SCHEMBL6177379 0.84 KDR (1.00) KDRCHEK1
SCHEMBL14022595 0.83 KDR (0.98) KDRCHEK1
SCHEMBL7237800 0.83 KDR (0.98) KDRCHEK1
SCHEMBL6180735 0.83 KDR (1.00) KDRCHEK1
SCHEMBL6179608 0.83 KDR (1.00) KDRCHEK1SRC
SCHEMBL7236764 0.83 KDR (0.86) KDRCHEK1SRC
SCHEMBL27584790 0.82 KDR (0.67) KDRCHEK1KITFLT3SRC
SCHEMBL7234536 0.82 KDR (0.79) KDRCHEK1KITFLT3SRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1390215-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-01-08 CN claimed
CN-1390215-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-01-08 CN disclosed