SCHEMBL27587387

SCHEMBL27587387

Nc1ncnc2c1c(I)nn2-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PIK3CD O00329 2/20 0.43
▸ DYRK3 O43781 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ ROS1 P08922 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CSNK1A1 P48729 2/20 0.42
▸ CSNK1D P48730 2/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ IRAK1 P51617 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ NTRK3 Q16288 2/20 0.42
▸ SLK Q9H2G2 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 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
SCHEMBL24096486 0.77 SRC (0.50) SRCEGFRPIK3CDDYRK3CDK1
SCHEMBL20553262 0.74 SRC (0.42) SRCEGFRDYRK3CDK1ROS1
SCHEMBL30405599 0.74 SRC (0.42) SRCEGFRDYRK3CDK1ROS1
SCHEMBL5801670 0.74 KDM4E (0.41) SRCEGFRPIK3CDDYRK3CDK1
SCHEMBL4819181 0.74 NUDT14 (0.66) SRCEGFRPIK3CDMAPK1LCK
SCHEMBL27604499 0.73 SRC (0.50) SRCEGFRPIK3CDKDRPIK3CG
SCHEMBL14693600 0.73 XDH (0.46) SRCPIK3CDDYRK3CDK1ROS1
SCHEMBL401337 0.72 SRC (0.45) SRCEGFRPIK3CDDYRK3CDK1
SCHEMBL4825966 0.71 SRC (0.43) SRCEGFRPIK3CDDYRK3CDK1
SCHEMBL3876328 0.71 KDM4E (0.66) EGFRGSK3BCYP17A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 — — CN disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 — — CN disclosed
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