SCHEMBL29589545

SCHEMBL29589545

Nc1ncnc2c1c(I)nn2C1CCC(F)(F)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.68
▸ KDR P35968 7/20 0.68
▸ RET P07949 2/20 0.68
▸ JAK2 O60674 2/20 0.68
▸ DYRK3 O43781 2/20 0.68
▸ CDK1 P06493 2/20 0.68
▸ ROS1 P08922 2/20 0.68
▸ RPS6KB1 P23443 2/20 0.68
▸ CDK2 P24941 2/20 0.68
▸ CSNK1A1 P48729 2/20 0.68
▸ CSNK1D P48730 2/20 0.68
▸ CLK2 P49760 2/20 0.68
▸ IRAK1 P51617 2/20 0.68
▸ CDK5 Q00535 2/20 0.68
▸ DYRK1A Q13627 2/20 0.68
▸ NTRK3 Q16288 2/20 0.68
▸ SLK Q9H2G2 2/20 0.68
▸ CLK4 Q9HAZ1 2/20 0.68
▸ CDC7 O00311 1/20 0.68
▸ PLK4 O00444 1/20 0.68

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
SCHEMBL19732801 1.00 SRC (0.68) SRCKDRRETJAK2DYRK3
SCHEMBL24096480 0.87 JAK2 (0.86) SRCKDRRETJAK2DYRK3
SCHEMBL19732645 0.87 SRC (0.68) SRCKDRRETJAK2DYRK3
SCHEMBL24096505 0.86 SRC (0.64) SRCKDRRETJAK2DYRK3
SCHEMBL1318717 0.85 SRC (0.77) SRCKDRRETJAK2DYRK3
SCHEMBL401336 0.85 KDR (0.77) SRCKDRRETJAK2DYRK3
SCHEMBL19304165 0.84 SRC (0.48) SRCKDRRETJAK2DYRK3
SCHEMBL5805110 0.84 RET (0.64) SRCKDRRETJAK2DYRK3
SCHEMBL23847456 0.83 KDR (0.75) SRCKDRRETJAK2DYRK3
SCHEMBL4826075 0.82 KDR (0.78) SRCKDRRETJAK2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 — — CN disclosed
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