SCHEMBL7853262

SCHEMBL7853262

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCC(=O)NCCSCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.66
LCK P06239 6/20 0.66
TEK Q02763 5/20 0.66
BTK Q06187 8/20 0.54
HCK P08631 6/20 0.51
FLT3 P36888 4/20 0.51
KDR P35968 4/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6468012 0.92 LCK (0.63) SRCLCKTEKBTKHCK
SCHEMBL7855243 0.88 SRC (0.68) SRCLCKTEKBTKHCK
SCHEMBL7852098 0.87 SRC (0.67) SRCLCKTEKBTKHCK
SCHEMBL7851979 0.86 LCK (0.65) SRCLCKTEKBTKHCK
SCHEMBL7842853 0.85 LCK (0.64) SRCLCKTEKBTKHCK
SCHEMBL7853877 0.84 SRC (0.68) SRCLCKTEKBTKHCK
SCHEMBL7853089 0.84 LCK (0.62) SRCLCKTEKBTKHCK
SCHEMBL7852451 0.83 LCK (0.66) SRCLCKTEKBTKHCK
SCHEMBL7850708 0.83 SRC (0.66) SRCLCKTEKBTKHCK
SCHEMBL6462888 0.82 SRC (0.70) SRCLCKTEKBTKHCK

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-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed