SCHEMBL29095959

SCHEMBL29095959

O=C(CBr)Nc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.74
ACP1 P24666 1/20 0.74
DYRK1A Q13627 2/20 0.70
CYP2D6 P10635 1/20 0.60
LRRK2 Q5S007 1/20 0.54
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53

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
SCHEMBL30522065 1.00 CSNK1D (0.74) CSNK1DACP1DYRK1ACYP2D6LRRK2
SCHEMBL3791611 0.84 DYRK1A (0.78) CSNK1DACP1DYRK1ACYP2D6LRRK2
SCHEMBL17287767 0.83 CSNK1D (1.00) CSNK1DACP1DYRK1A
SCHEMBL6191383 0.83 DYRK1A (0.76) CSNK1DACP1DYRK1ACYP2D6LRRK2
SCHEMBL30522062 0.83 PDPK1 (0.68) CSNK1DDYRK1ALRRK2
SCHEMBL8348837 0.83 PDPK1 (0.68) CSNK1DDYRK1ALRRK2
SCHEMBL17287650 0.82 CSNK1D (1.00) CSNK1DACP1DYRK1A
SCHEMBL30522063 0.81 DYRK1A (0.72) CSNK1DACP1DYRK1ACSNK2A2CSNK2B
SCHEMBL29095935 0.81 DYRK1A (0.72) CSNK1DACP1DYRK1ACSNK2A2CSNK2B
SCHEMBL29095932 0.81 DYRK1A (0.68) ACP1DYRK1ACYP2D6

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-116535366-B Thiazole compound and preparation method and application thereof 广州医科大学 2023-12-05 CN disclosed
CN-116535366-A Thiazole compound and preparation method and application thereof 广州医科大学 2023-08-04 CN disclosed