SCHEMBL7677729

SCHEMBL7677729

Cc1c(SCCCN2CCN(CC3CN(Cc4ccncc4)C(=O)O3)CC2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.35
FLT1 P17948 5/20 0.35
FAAH O00519 7/20 0.34
BRAF P15056 1/20 0.32
EIF2AK3 Q9NZJ5 1/20 0.32
HTR2B P41595 1/20 0.32
IGF1R P08069 2/20 0.32
EGFR P00533 1/20 0.32
INSR P06213 1/20 0.32
MET P08581 1/20 0.32
CDK2 P24941 1/20 0.32
TEK Q02763 1/20 0.32
GRM2 Q14416 2/20 0.31
DHFR P00374 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL7678516 0.86 FAAH (0.42) KDRFLT1FAAHIGF1REGFR
SCHEMBL6868402 0.82 GRM2 (0.31) GRM2
SCHEMBL7671316 0.79 MEN1 (0.32) KDRFLT1FAAHDHFR
SCHEMBL7670896 0.78 MEN1 (0.35) KDRFLT1DHFR
SCHEMBL7672106 0.77 DRD2 (0.39) KDRIGF1REGFRINSRMET
SCHEMBL7677581 0.74 MEN1 (0.33) KDRFLT1HTR2BDHFR
SCHEMBL7675572 0.74 FLT1 (0.42) KDRFLT1DHFR
SCHEMBL7675307 0.74 FLT1 (0.42) KDRFLT1DHFR
SCHEMBL7670964 0.73 MEN1 (0.45) KDRFLT1DHFR
SCHEMBL7671243 0.73 MEN1 (0.44) KDRFLT1DHFR

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-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed