SCHEMBL6661900

SCHEMBL6661900

CN1CCN(C2CCC(n3nc(-c4cccc(NC(=O)OC(C)(C)C)c4)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.50
LCK P06239 16/20 0.50
TEK Q02763 16/20 0.50
KDR P35968 5/20 0.50
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
FYN P06241 1/20 0.46
ABL1 P00519 3/20 0.44
PTK6 Q13882 2/20 0.44
BTK Q06187 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
IGF1R P08069 1/20 0.42
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 0.42

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
SCHEMBL5801943 0.88 SRC (0.64) SRCLCKTEKKDRLIMK1
SCHEMBL5801946 0.88 SRC (0.64) SRCLCKTEKKDRLIMK1
SCHEMBL7152942 0.86 SRC (0.60) SRCLCKTEKKDRLIMK1
SCHEMBL5819900 0.86 SRC (0.51) SRCLCKTEKKDRLIMK1
SCHEMBL5819873 0.81 ABL1 (0.61) SRCLCKTEKKDRLIMK1
SCHEMBL5812726 0.79 SRC (0.61) SRCLCKTEKKDRLIMK1
SCHEMBL6433865 0.78 SRC (0.68) SRCLCKTEKKDRLIMK1
SCHEMBL5786214 0.78 SRC (0.68) SRCLCKTEKKDRLIMK1
SCHEMBL6664730 0.77 SRC (0.44) SRCLCKTEKKDRLIMK1
SCHEMBL7142942 0.77 SRC (0.70) SRCLCKTEKKDRLIMK1

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