SCHEMBL6087790

SCHEMBL6087790

O=C1NN=C(c2cccnc2)/C1=C\c1[nH]c2c(c1CN1CCCCC1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.41
KDR P35968 11/20 0.41
FGFR1 P11362 8/20 0.41
LCK P06239 5/20 0.41
FYN P06241 5/20 0.41
YES1 P07947 5/20 0.41
PDGFRB P09619 7/20 0.38
ALK Q9UM73 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CHEK1 O14757 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
EGFR P00533 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
SCHEMBL6087795 1.00 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090351 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090354 0.99 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6089751 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089569 0.92 SRC (0.49) SRCKDRFGFR1LCKFYN
SCHEMBL6089746 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089561 0.92 SRC (0.49) SRCKDRFGFR1LCKFYN
SCHEMBL6093052 0.89 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6093046 0.89 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6089912 0.89 SRC (0.41) SRCKDRFGFR1LCKFYN

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