SCHEMBL7855166

SCHEMBL7855166

COc1cc(-c2cn(C3CCC(=O)CC3)c3ncnc(N)c23)ccc1-c1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.55
TEK Q02763 2/20 0.55
KDR P35968 2/20 0.55
SRC P12931 11/20 0.54
EGFR P00533 10/20 0.54
ABL1 P00519 9/20 0.54
ABL2 P42684 9/20 0.54
RET P07949 2/20 0.50
KIF5B P33176 2/20 0.50
RIPK2 O43353 4/20 0.49
KCNH2 Q12809 1/20 0.49
CCDC6 Q16204 1/20 0.49
BTK Q06187 1/20 0.48

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
SCHEMBL6868849 0.84 SRC (0.59) LCKTEKKDRSRCEGFR
SCHEMBL7855168 0.83 SRC (0.57) LCKTEKKDRSRCEGFR
SCHEMBL23834558 0.82 LCK (0.68) LCKTEKKDRSRCEGFR
SCHEMBL16930842 0.82 TEK (0.56) LCKTEKKDRSRCEGFR
SCHEMBL30053991 0.82 LCK (0.68) LCKTEKKDRSRCEGFR
SCHEMBL8138258 0.81 SRC (0.63) LCKTEKKDRSRCEGFR
SCHEMBL6461526 0.80 LCK (0.58) LCKTEKKDRSRCEGFR
SCHEMBL27555127 0.79 IGF1R (0.56) LCKTEKKDRSRCEGFR
SCHEMBL6461790 0.79 SRC (0.59) LCKTEKKDRSRCEGFR
SCHEMBL6861366 0.79 SRC (0.59) LCKTEKKDRSRCEGFR

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