SCHEMBL5819930

SCHEMBL5819930

Nc1nccc2c1c(I)nn2C1CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.42
SRC P12931 4/20 0.42
KDR P35968 3/20 0.42
JAK2 O60674 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
ROS1 P08922 1/20 0.42
FER P16591 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 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
SCHEMBL24096562 0.89 RET (0.51) RETSRCKDRJAK2CDC7
SCHEMBL5817942 0.84 RET (0.47) RETSRCKDRJAK2CDC7
SCHEMBL6665772 0.83 MEN1 (0.46) RETSRCKDRJAK2CDC7
SCHEMBL5818829 0.82 GAA (0.47) RETSRCKDRJAK2CDC7
SCHEMBL6268856 0.80 JAK2 (0.42) RETSRCKDRJAK2CDC7
SCHEMBL5814297 0.78 RET (0.39) RETSRCKDRJAK2CDC7
SCHEMBL26790960 0.78 SRC (0.43) RETSRCKDRJAK2CDC7
SCHEMBL5815909 0.78 LCK (0.46) RETSRCKDRJAK2CDC7
SCHEMBL5812794 0.78 GAA (0.43) RETSRCKDRJAK2CDC7
SCHEMBL2958123 0.77 SRC (0.70) RETSRCKDRJAK2CDC7

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed