SCHEMBL5780482

SCHEMBL5780482

FC(F)(F)c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3cc[nH]n3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
FLT1 P17948 3/20 0.40
KDR P35968 2/20 0.40
BCDIN3D Q7Z5W3 1/20 0.38
PDE5A O76074 1/20 0.38
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL5777283 0.88 PRKCI (0.43) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5780434 0.87 PDE5A (0.41) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5116027 0.85 USP1 (0.47) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5122288 0.84 FLT1 (0.41) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5120472 0.83 PRKCI (0.48) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5782350 0.83 MAPT (0.38) USP1WDR48BCDIN3DPDE5ACNR2
SCHEMBL5125547 0.83 FLT1 (0.42) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5122654 0.82 FLT1 (0.44) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL5123292 0.81 MAPT (0.55) USP1WDR48FLT1KDRBCDIN3D
SCHEMBL8185582 0.81 FLT1 (0.44) USP1WDR48FLT1KDRPDE5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed