SCHEMBL7855243

SCHEMBL7855243

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.68
LCK P06239 5/20 0.68
TEK Q02763 4/20 0.68
BTK Q06187 7/20 0.56
HCK P08631 6/20 0.52
FLT3 P36888 4/20 0.52
KDR P35968 3/20 0.49

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
SCHEMBL7852098 0.89 SRC (0.67) SRCLCKTEKBTKHCK
SCHEMBL7853262 0.88 SRC (0.66) SRCLCKTEKBTKHCK
SCHEMBL7851979 0.87 LCK (0.65) SRCLCKTEKBTKHCK
SCHEMBL7842853 0.86 LCK (0.64) SRCLCKTEKBTKHCK
SCHEMBL6465478 0.86 LCK (0.63) SRCLCKTEKBTKHCK
SCHEMBL7853877 0.86 SRC (0.68) SRCLCKTEKBTKHCK
SCHEMBL7853089 0.86 LCK (0.62) SRCLCKTEKBTKHCK
SCHEMBL6462888 0.86 SRC (0.70) SRCLCKTEKBTKHCK
SCHEMBL7851540 0.85 LCK (0.60) SRCLCKTEKBTKHCK
SCHEMBL7852451 0.84 LCK (0.66) 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