SCHEMBL7842853

SCHEMBL7842853

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCC(=O)NCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.64
SRC P12931 5/20 0.64
TEK Q02763 3/20 0.64
BTK Q06187 11/20 0.58
HCK P08631 7/20 0.53
FLT3 P36888 4/20 0.53
FYN P06241 2/20 0.51
LYN P07948 2/20 0.51
YES1 P07947 1/20 0.51
FGR P09769 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
BLK P51451 1/20 0.51
BMX P51813 1/20 0.51
ERBB4 Q15303 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
NPC1 O15118 1/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL6461718 0.92 LCK (0.62) LCKSRCTEKBTKHCK
SCHEMBL6459603 0.92 LCK (0.61) LCKSRCTEKBTKHCK
SCHEMBL6461408 0.88 LCK (0.60) LCKSRCTEKBTKHCK
SCHEMBL6463938 0.87 LCK (0.59) LCKSRCTEKBTKHCK
SCHEMBL7855243 0.86 SRC (0.68) LCKSRCTEKBTKHCK
SCHEMBL7852098 0.86 SRC (0.67) LCKSRCTEKBTKHCK
SCHEMBL7851979 0.86 LCK (0.65) LCKSRCTEKBTKHCK
SCHEMBL6461162 0.85 LCK (0.59) LCKSRCTEKBTKHCK
SCHEMBL6458751 0.85 LCK (0.59) LCKSRCTEKBTKHCK
SCHEMBL7853262 0.85 SRC (0.66) LCKSRCTEKBTKHCK

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