SCHEMBL19336837

SCHEMBL19336837

COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4cccc(C)c4)n3n2)c(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.67
▸ DYRK3 O43781 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FYN P06241 1/20 0.35

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
SCHEMBL17445625 0.89 TTK (0.75) TTKFYN
SCHEMBL19336838 0.86 TTK (0.75) TTK
SCHEMBL17445623 0.85 TTK (0.62) TTK
SCHEMBL19336843 0.82 TTK (0.61) TTK
SCHEMBL19336811 0.82 TTK (0.59) TTK
SCHEMBL19336855 0.82 TTK (0.71) TTKPIM1FYN
Bay-1217389 SCHEMBL15555839 0.81 TTK (1.00) TTK
SCHEMBL470014 0.77 TTK (0.67) TTK
SCHEMBL17571044 0.76 TTK (0.91) TTK
SCHEMBL17559993 0.75 TTK (0.90) TTK

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
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 — — EP disclosed
Send feedback