SCHEMBL7679244

SCHEMBL7679244

O=C(O)C1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)nc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
KDR P35968 8/20 0.53
PDGFRB P09619 1/20 0.52
FGFR1 P11362 1/20 0.52
JAK1 P23458 1/20 0.43
ENPP2 Q13822 2/20 0.42
LTA4H P09960 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL7699614 0.91 KDR (0.56) CHEK1KDRPDGFRBFGFR1
SCHEMBL7677131 0.84 KDR (0.53) CHEK1KDRPDGFRBFGFR1
SCHEMBL5138068 0.84 CHEK1 (0.74) CHEK1KDR
SCHEMBL7695384 0.83 KDR (0.49) CHEK1KDRPDGFRBFGFR1
SCHEMBL7679471 0.80 KDR (0.52) CHEK1KDRPDGFRBFGFR1
SCHEMBL7681394 0.76 KDR (0.49) CHEK1KDRPDGFRBFGFR1
SCHEMBL5081986 0.76 CHEK1 (0.73) CHEK1KDR
SCHEMBL7673836 0.75 KDR (0.51) CHEK1KDRPDGFRBFGFR1
SCHEMBL7673824 0.74 KDR (0.47) CHEK1KDRPDGFRBFGFR1
SCHEMBL7678343 0.74 KDR (0.49) CHEK1KDRPDGFRBFGFR1

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-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed