SCHEMBL11812486

SCHEMBL11812486

Cc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1CCBr

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CDK9 P50750 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ DYRK2 Q92630 2/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK4 Q9NR20 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ EIF4EBP1 Q13541 1/20 0.30

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
SCHEMBL11805651 0.86 CDK9 (0.40) KMT2AMEN1PKMCDK9DYRK1A
SCHEMBL11517572 0.86 KDM4E (0.40) KMT2AMEN1PKMCDK9DYRK1A
SCHEMBL11804036 0.85 TLR8 (0.38) KMT2AMEN1PKMCDK9DYRK1A
SCHEMBL11812652 0.82 CHRNB2 (0.36) KMT2AMEN1PKMCDK9DYRK1A
SCHEMBL11806977 0.81 HSD11B1 (0.34) KMT2AMEN1PKMCDK9DYRK1A
SCHEMBL11812366 0.76 ADRB2 (0.30) —
SCHEMBL11809102 0.75 CSNK1E (0.36) DYRK1ADYRK2CSNK1ECLK1CLK2
SCHEMBL11812544 0.75 — —
SCHEMBL11803727 0.75 KDM4E (0.40) KMT2ACDK9DYRK1ADYRK2CSNK1E
SCHEMBL11810909 0.75 GRM2 (0.35) DYRK1A

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
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
Send feedback