SCHEMBL7843774

SCHEMBL7843774

CC(C)(C)OC(=O)N1CCCCC1O.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.70
LCK P06239 9/20 0.70
TEK Q02763 8/20 0.70
KDR P35968 5/20 0.63
EGFR P00533 3/20 0.63
FYN P06241 2/20 0.63
LYN P07948 2/20 0.63
CSK P41240 2/20 0.63
BTK Q06187 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
RGS12 O14924 1/20 0.63
NPC1 O15118 1/20 0.63
GMNN O75496 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63

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
Hydrochloric Acid SCHEMBL6877622 0.86 SRC (0.78) SRCLCKTEKKDREGFR
SCHEMBL6462070 0.85 SRC (0.78) SRCLCKTEKKDREGFR
SCHEMBL30054291 0.85 SRC (0.78) SRCLCKTEKKDREGFR
Tert-Butyl Formate SCHEMBL28022044 0.84 SRC (0.83) SRCLCKTEKKDREGFR
SCHEMBL6465227 0.83 SRC (1.00) SRCLCKTEKKDREGFR
Hydrochloric Acid SCHEMBL6465660 0.83 SRC (0.98) SRCLCKTEKKDREGFR
SCHEMBL30143837 0.82 SRC (0.64) SRCLCKTEKKDREGFR
SCHEMBL15516942 0.82 SRC (0.79) SRCLCKTEKKDREGFR
SCHEMBL13858297 0.82 SRC (0.79) SRCLCKTEKKDREGFR
SCHEMBL7135493 0.82 HCK (0.73) SRCLCKTEKKDREGFR

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