SCHEMBL6089946

SCHEMBL6089946

O=C1NN=C(c2cccs2)C1=Cc1[nH]c2c(c1CN1CCCC1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.42
KDR P35968 13/20 0.42
FGFR1 P11362 11/20 0.42
LCK P06239 8/20 0.42
FYN P06241 8/20 0.42
YES1 P07947 8/20 0.42
PDGFRB P09619 10/20 0.39
ALK Q9UM73 1/20 0.37
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 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
SCHEMBL6089940 1.00 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6088093 0.99 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6088090 0.99 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089309 0.94 SRC (0.44) SRCKDRFGFR1LCKFYN
SCHEMBL6089301 0.94 SRC (0.44) SRCKDRFGFR1LCKFYN
SCHEMBL6092469 0.93 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6092474 0.93 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6092224 0.84 SRC (0.46) SRCKDRFGFR1LCKFYN
SCHEMBL6092229 0.84 SRC (0.46) SRCKDRFGFR1LCKFYN
SCHEMBL6091419 0.83 SRC (0.42) 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