SCHEMBL6639201

SCHEMBL6639201

Cc1cc(-c2ccccc2)n(-c2ccc(-c3nn(C4CCC(N5CCN(C)CC5)CC4)c4cncc(N)c34)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.44
SRC P12931 12/20 0.44
TEK Q02763 12/20 0.44
KDR P35968 5/20 0.44
BTK Q06187 2/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
IGF1R P08069 2/20 0.37
ERBB3 P21860 2/20 0.37
ERBB4 Q15303 2/20 0.37
ALOX5 P09917 1/20 0.37
NUDT14 O95848 1/20 0.36
NUDT5 Q9UKK9 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36

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
SCHEMBL5801380 0.82 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL5801381 0.82 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6667380 0.81 BTK (0.66) LCKSRCTEKKDRBTK
SCHEMBL5822199 0.80 LCK (0.49) LCKSRCTEKKDRBTK
SCHEMBL6688969 0.79 SRC (0.67) LCKSRCTEKKDRBTK
SCHEMBL5820135 0.78 LCK (0.45) LCKSRCTEKKDRBTK
SCHEMBL6273323 0.77 EGFR (0.45) LCKSRCTEKKDRBTK
SCHEMBL6273230 0.77 LCK (0.45) LCKSRCTEKKDRBTK
SCHEMBL5823682 0.76 BTK (0.59) LCKSRCTEKKDRBTK
SCHEMBL5823745 0.76 SRC (0.49) LCKSRCTEKKDRBTK

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