SCHEMBL11807540

SCHEMBL11807540

COc1c(C(F)(F)F)cc2nc(C)n(C(C)C)c2c1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ AURKA O14965 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL11811391 0.86 ADORA3 (0.32) AURKAKDRAURKB
SCHEMBL11811404 0.83 HSD11B1 (0.35) DYRK1AAURKAKDRAURKB
SCHEMBL11809102 0.82 CSNK1E (0.36) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL11861299 0.81 ALDH1A1 (0.37) ABL1
SCHEMBL11806507 0.80 TDP1 (0.40) CSNK1ECLK1CLK2CLK3CDK5
SCHEMBL11561320 0.76 CSNK1E (0.34) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL11811136 0.72 BRD4 (0.36) ABL1
SCHEMBL31698750 0.71 CSNK1E (0.33) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL11520254 0.71 CSNK1E (0.38) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL11812193 0.71 MBOAT4 (0.32) AURKAKDRAURKB

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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