SCHEMBL6092224

SCHEMBL6092224

CN(C)Cc1c(/C=C2/C(=O)NN=C2c2cccs2)[nH]c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.46
KDR P35968 4/20 0.39
PDGFRB P09619 3/20 0.39
FGFR1 P11362 3/20 0.39
LCK P06239 2/20 0.39
FYN P06241 2/20 0.39
YES1 P07947 2/20 0.39
ALK Q9UM73 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6092229 1.00 SRC (0.46) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6087939 0.91 SRC (0.41) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6087937 0.91 SRC (0.41) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6089940 0.84 SRC (0.42) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6089946 0.84 SRC (0.42) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6089309 0.84 SRC (0.44) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6089301 0.84 SRC (0.44) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6088093 0.84 SRC (0.42) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6088090 0.84 SRC (0.42) SRCKDRPDGFRBFGFR1LCK
SCHEMBL6090941 0.83 SRC (0.46) SRCKDRPDGFRBFGFR1LCK

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