SCHEMBL11809102

SCHEMBL11809102

Cc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ GSK3B P49841 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
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK4 Q9NR20 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL11811550 0.88 ADRB2 (0.30) —
SCHEMBL11811344 0.87 DHFR (0.30) ABL1
SCHEMBL11804027 0.86 DHFR (0.32) —
SCHEMBL11813005 0.85 MAP3K12 (0.32) —
SCHEMBL11811136 0.84 BRD4 (0.36) ABL1
SCHEMBL11811536 0.83 — —
SCHEMBL11819659 0.83 — —
SCHEMBL11806977 0.82 HSD11B1 (0.34) DYRK1AABL1
SCHEMBL11807540 0.82 CSNK1E (0.34) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL11810702 0.81 CTSS (0.33) —

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