SCHEMBL6092148

SCHEMBL6092148

Cc1[nH]c(C=C2C(=O)NN=C2c2cncnc2)c(C)c1CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.51
CHEK1 O14757 4/20 0.51
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
FGFR1 P11362 6/20 0.34
PDGFRB P09619 6/20 0.34
AURKA O14965 2/20 0.34
RET P07949 2/20 0.34
FLT1 P17948 2/20 0.34
FLT3 P36888 2/20 0.34
MAP4K2 Q12851 2/20 0.34
STK3 Q13188 2/20 0.34
AURKB Q96GD4 2/20 0.34
GAK O14976 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
LATS1 O95835 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAP2K2 P36507 1/20 0.34
ZAP70 P43403 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
SCHEMBL6092144 1.00 KDR (0.51) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6091164 0.90 KDR (0.58) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6091173 0.90 KDR (0.58) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6092509 0.88 KDR (0.47) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6087930 0.87 KDR (0.52) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6087925 0.87 KDR (0.52) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6088791 0.85 KDR (0.49) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6088786 0.85 KDR (0.49) KDRCHEK1ALDH1A1LMNAFGFR1
SCHEMBL6089891 0.84 KDR (0.72) KDRCHEK1ALDH1A1FGFR1PDGFRB
SCHEMBL6089261 0.84 KDR (0.72) KDRCHEK1ALDH1A1FGFR1PDGFRB

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