SCHEMBL5818451

SCHEMBL5818451

Nc1nccc2c1c(I)nn2C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.39
RET P07949 3/20 0.38
SRC P12931 6/20 0.38
KDR P35968 5/20 0.38
JAK2 O60674 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
ROS1 P08922 1/20 0.38
FER P16591 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38

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 SCHEMBL6273573 0.99 RPS6KA5 (0.38) RPS6KA5RETSRCKDRJAK2
SCHEMBL26790960 0.93 SRC (0.43) RETSRCKDRJAK2CDC7
SCHEMBL14635975 0.85 RPS6KA5 (0.39) RPS6KA5RETSRCKDRJAK2
SCHEMBL14635974 0.85 RPS6KA5 (0.39) RPS6KA5RETSRCKDRJAK2
SCHEMBL6665772 0.85 MEN1 (0.46) RPS6KA5RETSRCKDRJAK2
Hydrochloric Acid SCHEMBL21903713 0.84 RPS6KA5 (0.38) RPS6KA5RETSRCKDRJAK2
Hydrochloric Acid SCHEMBL21903715 0.84 RPS6KA5 (0.38) RPS6KA5RETSRCKDRJAK2
Hydrochloric Acid SCHEMBL31684272 0.84 RPS6KA5 (0.38) RPS6KA5RETSRCKDRJAK2
SCHEMBL24096562 0.83 RET (0.51) RETSRCKDRJAK2CDC7
SCHEMBL28371168 0.81 HTR6 (0.37) RPS6KA5RETSRCKDREGFR

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