SCHEMBL6688752

SCHEMBL6688752

CN1CCC(N2CCC(n3nc(-c4ccc(N)cc4)c4c(N)cncc43)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.42
NUDT14 O95848 2/20 0.42
NUDT5 Q9UKK9 2/20 0.42
LCK P06239 8/20 0.41
SRC P12931 7/20 0.41
TEK Q02763 5/20 0.41
KDR P35968 3/20 0.41
EGFR P00533 5/20 0.41
ERBB2 P04626 5/20 0.41
IGF1R P08069 5/20 0.41
ERBB3 P21860 5/20 0.41
ERBB4 Q15303 5/20 0.41
CSK P41240 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
FYN P06241 1/20 0.34

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
SCHEMBL5823682 0.87 BTK (0.59) BTKNUDT14NUDT5LCKSRC
SCHEMBL5819209 0.85 SRC (0.49) LCKSRCTEKKDREGFR
SCHEMBL5820135 0.83 LCK (0.45) BTKNUDT14NUDT5LCKSRC
SCHEMBL6273230 0.83 LCK (0.45) BTKNUDT14NUDT5LCKSRC
SCHEMBL6667380 0.81 BTK (0.66) BTKNUDT14NUDT5LCKSRC
SCHEMBL6273323 0.81 EGFR (0.45) BTKLCKSRCTEKKDR
SCHEMBL5822199 0.80 LCK (0.49) BTKNUDT14NUDT5LCKSRC
SCHEMBL5821051 0.80 SRC (0.52) BTKNUDT14NUDT5LCKSRC
SCHEMBL6688969 0.80 SRC (0.67) BTKLCKSRCTEKKDR
SCHEMBL5823745 0.79 SRC (0.49) BTKLCKSRCTEKKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed