SCHEMBL2425869

SCHEMBL2425869

Nc1nccc2c1c(I)nn2CCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.34
▸ ADK P55263 5/20 0.34
▸ KDR P35968 3/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ DYRK3 O43781 2/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ ROS1 P08922 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CSNK1A1 P48729 2/20 0.34
▸ CSNK1D P48730 2/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ IRAK1 P51617 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ NTRK3 Q16288 2/20 0.34
▸ SLK Q9H2G2 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ DCLK1 O15075 1/20 0.34

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
SCHEMBL2429551 0.81 NOS2 (0.35) ADKKDRDYRK3CDK1ROS1
SCHEMBL6248086 0.76 YES1 (0.39) SRCPIK3CDGSK3B
SCHEMBL21439802 0.76 RET (0.40) KDRRETADORA2AADORA2BADORA1
SCHEMBL30566253 0.76 RET (0.40) KDRRETADORA2AADORA2BADORA1
SCHEMBL5819603 0.75 MAPK13 (0.37) KDRFLT3DYRK1AMAPK1GSK3B
SCHEMBL2964103 0.74 AHCY (0.36) AHCYADKKDRDYRK3CDK1
SCHEMBL28871294 0.72 KDR (0.45) KDRFLT3MAPK1CYP1A2
SCHEMBL29968393 0.72 KDR (0.45) KDRFLT3MAPK1CYP1A2
SCHEMBL24096562 0.71 RET (0.51) ADKKDRDYRK3CDK1ROS1
SCHEMBL2429775 0.71 CYP1A2 (0.33) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 — — EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed
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
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