SCHEMBL6090848

SCHEMBL6090848

O=C1NN=C(c2cnccn2)/C1=C\c1[nH]c2c(c1CN1CCCC1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.52
CHEK1 O14757 2/20 0.46
SRC P12931 6/20 0.40
FGFR1 P11362 4/20 0.40
LCK P06239 3/20 0.40
FYN P06241 3/20 0.40
YES1 P07947 3/20 0.40
PDGFRB P09619 3/20 0.35
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6088556 0.99 KDR (0.51) KDRCHEK1SRCFGFR1LCK
SCHEMBL6089623 0.93 KDR (0.48) KDRCHEK1SRCFGFR1LCK
SCHEMBL6088867 0.93 KDR (0.51) KDRCHEK1SRCFGFR1LCK
SCHEMBL6092763 0.86 SRC (0.41) KDRCHEK1SRCFGFR1LCK
SCHEMBL6092767 0.86 SRC (0.41) KDRCHEK1SRCFGFR1LCK
SCHEMBL6089498 0.86 SRC (0.41) KDRCHEK1SRCFGFR1LCK
SCHEMBL6089492 0.86 SRC (0.41) KDRCHEK1SRCFGFR1LCK
SCHEMBL6091419 0.85 SRC (0.42) KDRSRCFGFR1LCKFYN
SCHEMBL6091412 0.85 SRC (0.42) KDRSRCFGFR1LCKFYN
SCHEMBL6090351 0.85 SRC (0.41) KDRCHEK1SRCFGFR1LCK

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