SCHEMBL28620448

SCHEMBL28620448

c1cnc(Nc2ccc(-c3cncs3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.46
CD38 P28907 15/20 0.46
KDR P35968 1/20 0.44
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
RET P07949 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2088047 0.74 PRKCD (0.59) DYRK1ACD38KDRMAPT
SCHEMBL19219055 0.72 PIM1 (0.51) DYRK1ACD38DYRK2DYRK1BMAPT
SCHEMBL27835195 0.72 PRKCD (0.50) KDRMAPT
SCHEMBL2722754 0.72 DYRK1A (0.77) DYRK1ACD38DYRK2DYRK1BMAPT
SCHEMBL16205256 0.72 CD38 (0.60) DYRK1ACD38KDRRETMAPT
SCHEMBL48894 0.72 DYRK1A (0.55) DYRK1ACD38KDRDYRK2DYRK1B
SCHEMBL1872880 0.72 DYRK1A (0.55) DYRK1ACD38DYRK2DYRK1BMAPT
SCHEMBL27720410 0.71 KDR (0.49) KDRMAPT
SCHEMBL1120968 0.70 AURKA (0.42) KDRMAPT
SCHEMBL19219067 0.70 DYRK1A (0.53) DYRK1ACD38KDRDYRK2DYRK1B

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-108368129-B Modified macrocyclic compounds 拜耳医药股份有限公司 2021-08-17 CN disclosed