SCHEMBL1532347

SCHEMBL1532347

CN1CCN(c2cc(Nc3ncc(C#N)s3)nc(SC3CCN(C(=O)O)CC3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.55
FLT3 P36888 2/20 0.42
KIT P10721 1/20 0.42
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
ABL1 P00519 1/20 0.40
AURKA O14965 1/20 0.38

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
SCHEMBL12656931 0.93 KDR (0.60) KDRFLT3KITSIK1SIK2
SCHEMBL12656674 0.91 KDR (0.62) KDRFLT3KITSIK1SIK2
SCHEMBL1532389 0.91 KDR (0.52) KDRFLT3KITSIK1SIK2
SCHEMBL12627041 0.90 KDR (0.51) KDRFLT3KITSIK1SIK2
SCHEMBL12627040 0.90 KDR (0.51) KDRFLT3KITSIK1SIK2
SCHEMBL1815909 0.90 KDR (0.51) KDRFLT3KITSIK1SIK2
SCHEMBL12627044 0.86 KDR (0.47) KDRFLT3KITSIK1SIK2
SCHEMBL1532268 0.86 KDR (0.58) KDRFLT3KITSIK1SIK2
SCHEMBL1532247 0.85 KDR (0.44) KDR
SCHEMBL12627061 0.85 KDR (0.46) KDRFLT3KITSIK1SIK2

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
EP-2478361-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS Avila Therapeutics, Inc. (US) 2012-07-25 EP disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed