SCHEMBL28343189

SCHEMBL28343189

CN(C)c1nccc(F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
JAK3 P52333 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PNCK Q6P2M8 1/20 0.37
HASPIN Q8TF76 1/20 0.37
DYRK2 Q92630 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL1586782 0.73 DYRK1A (0.42) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL29740313 0.73 NCF1 (0.45) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL4268865 0.73 NCF1 (0.45) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL7495910 0.72 MTNR1A (0.37)
SCHEMBL28785979 0.71 DYRK1A (0.40) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL12487624 0.71 DYRK1A (0.42) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL4262005 0.71 TAAR1 (0.41) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL11733533 0.71 DYRK1A (0.40) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL14999426 0.71 DYRK1A (0.40) DYRK1ALMNACYP1A2THRBBLM
SCHEMBL785320 0.71 DYRK1A (0.40) DYRK1ALMNACYP1A2THRBBLM

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
CN-110527292-A A kind of medical macromolecular materials and preparation method thereof HUNAN BOJUN BIOMEDICINE CO LTD 2019-12-03 CN claimed