SCHEMBL7256161

SCHEMBL7256161

C[C@@H]1CN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CCN1[S+](C)[O-]

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.61
KDR P35968 1/20 0.47

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
SCHEMBL145742 0.84 CHEK1 (0.61) CHEK1KDR
SCHEMBL146578 0.84 CHEK1 (0.61) CHEK1KDR
SCHEMBL144138 0.82 CHEK1 (0.66) CHEK1KDR
SCHEMBL146846 0.82 CHEK1 (0.66) CHEK1KDR
SCHEMBL5078744 0.81 CHEK1 (0.66) CHEK1KDR
SCHEMBL144982 0.80 CHEK1 (0.76) CHEK1KDR
SCHEMBL5082047 0.79 CHEK1 (0.75) CHEK1KDR
SCHEMBL5385089 0.79 CHEK1 (0.72) CHEK1KDR
SCHEMBL5385085 0.79 CHEK1 (0.72) CHEK1KDR
SCHEMBL5081972 0.79 CHEK1 (0.69) CHEK1KDR

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
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO claimed