SCHEMBL6090541

SCHEMBL6090541

CCN(CC)Cc1c(C=C2C(=O)NN=C2c2cccnc2)[nH]c2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.41
CHEK1 O14757 1/20 0.41
SRC P12931 13/20 0.40
PDGFRB P09619 6/20 0.38
FGFR1 P11362 6/20 0.38
ALK Q9UM73 1/20 0.38
FYN P06241 2/20 0.35
YES1 P07947 2/20 0.35
LCK P06239 1/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL6090538 1.00 KDR (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088353 0.91 SRC (0.45) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088361 0.91 SRC (0.45) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6089054 0.89 SRC (0.40) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6089043 0.89 SRC (0.40) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088359 0.89 KDR (0.40) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6088368 0.89 KDR (0.40) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6091011 0.85 SRC (0.41) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6091948 0.85 KDR (0.58) KDRCHEK1SRCPDGFRBFGFR1
SCHEMBL6091017 0.85 SRC (0.41) KDRCHEK1SRCPDGFRBFGFR1

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed