SCHEMBL27785692

SCHEMBL27785692

O=CC1CN(C(=O)c2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cc2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ GRM5 P41594 2/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNH P51946 2/20 0.34
▸ MNAT1 P51948 2/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL13472152 0.89 GRM5 (0.42) EGFRBTKGRM5CCNCCDK8
SCHEMBL3651135 0.86 KCNH2 (0.40) EGFRBTKGRM5CCNCCDK8
SCHEMBL27785690 0.83 EGFR (0.42) EGFRBTKGRM5CSNK2A1CCNK
SCHEMBL27785691 0.81 EGFR (0.40) EGFRBTKGRM5GSK3BCCNK
SCHEMBL3648485 0.81 HRH3 (0.45) EGFRBTKGRM5CCNCCDK8
SCHEMBL3643667 0.76 ABL1 (0.41) EGFRBTKGRM5CSNK2A1CDK2
SCHEMBL13472157 0.75 GRM5 (0.39) EGFRBTKGRM5GSK3BDYRK1A
SCHEMBL2328664 0.74 CCNC (0.48) EGFRBTKCCNCCDK8MKNK2
SCHEMBL3650318 0.74 CSNK2A1 (0.60) GRM5GSK3BCSNK2A1GSK3A
SCHEMBL3694294 0.73 EGFR (0.37) EGFRBTKGRM5GSK3BDYRK1A

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-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN disclosed
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