SCHEMBL7843786

SCHEMBL7843786

CN(C)CC(C)(C)CNC(=O)CCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.61
SRC P12931 4/20 0.61
TEK Q02763 3/20 0.61
BTK Q06187 12/20 0.56
KDR P35968 2/20 0.52
HCK P08631 4/20 0.47
FLT3 P36888 2/20 0.47

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
SCHEMBL6464079 0.92 LCK (0.58) LCKSRCTEKBTKKDR
SCHEMBL7851979 0.87 LCK (0.65) LCKSRCTEKBTKKDR
SCHEMBL7851824 0.85 LCK (0.62) LCKSRCTEKBTKKDR
SCHEMBL28746856 0.85 LCK (0.64) LCKSRCTEKBTKKDR
SCHEMBL7852451 0.83 LCK (0.66) LCKSRCTEKBTKKDR
SCHEMBL7843781 0.82 TEK (0.59) LCKSRCTEKBTKKDR
SCHEMBL7853089 0.82 LCK (0.62) LCKSRCTEKBTKKDR
SCHEMBL7855243 0.81 SRC (0.68) LCKSRCTEKBTKKDR
SCHEMBL7850708 0.81 SRC (0.66) LCKSRCTEKBTKKDR
SCHEMBL7853877 0.81 SRC (0.68) LCKSRCTEKBTKKDR

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