SCHEMBL7850708

SCHEMBL7850708

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCC(=O)NCC(O)CO

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.66
LCK P06239 6/20 0.66
TEK Q02763 5/20 0.66
BTK Q06187 5/20 0.56
KDR P35968 4/20 0.52
HCK P08631 7/20 0.51
FLT3 P36888 6/20 0.51

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
SCHEMBL7852451 0.91 LCK (0.66) SRCLCKTEKBTKKDR
SCHEMBL6461069 0.91 SRC (0.62) SRCLCKTEKBTKKDR
SCHEMBL6461085 0.91 SRC (0.62) SRCLCKTEKBTKKDR
SCHEMBL6461297 0.91 SRC (0.62) SRCLCKTEKBTKKDR
SCHEMBL7854931 0.85 LCK (0.67) SRCLCKTEKBTKKDR
SCHEMBL7855243 0.84 SRC (0.68) SRCLCKTEKBTKKDR
SCHEMBL6458188 0.84 LCK (0.60) SRCLCKTEKBTKKDR
SCHEMBL7852098 0.84 SRC (0.67) SRCLCKTEKBTKKDR
SCHEMBL7851979 0.84 LCK (0.65) SRCLCKTEKBTKKDR
SCHEMBL7842853 0.83 LCK (0.64) SRCLCKTEKBTKKDR

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