SCHEMBL9168799

SCHEMBL9168799

Fc1ccc(-c2cnc3c(-c4ccc(Sc5ccccc5)cc4)cnn3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.70
FLT1 P17948 5/20 0.57
FLT4 P35916 5/20 0.57
ACVR1 Q04771 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
TGFBR1 P36897 1/20 0.52
GAK O14976 1/20 0.51
BMP4 P12644 2/20 0.50
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46

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
SCHEMBL7616736 0.83 KDR (1.00) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL14424408 0.81 KDR (0.85) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL9168815 0.77 KDR (0.59) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL7610636 0.77 KDR (1.00) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL9688658 0.77 NPC1 (0.48) KDR
SCHEMBL7618559 0.76 KDR (0.77) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL5405900 0.76 KDR (0.72) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL7618521 0.76 KDR (0.77) KDRFLT1FLT4ACVR1PRKAB1
SCHEMBL9175179 0.75 BMP4 (0.50) KDRFLT1FLT4GAKBMP4
SCHEMBL14437843 0.74 KDR (0.68) KDRFLT1FLT4ACVR1PRKAB1

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-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed