SCHEMBL28186648

SCHEMBL28186648

Cc1cc2ccncc2cc1N=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.38
HASPIN Q8TF76 7/20 0.37
PRMT3 O60678 1/20 0.37
CLK1 P49759 2/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
DYRK1A Q13627 1/20 0.37
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35
PRKCZ Q05513 1/20 0.35
PIM1 P11309 3/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ABL1 P00519 1/20 0.35
NR3C1 P04150 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL8292355 0.80 CLK1 (0.46) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL21441606 0.77 BRD4 (0.39)
SCHEMBL13193051 0.73 PRKCZ (0.40) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL19068654 0.73 PRKCZ (0.40) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL8272676 0.72
SCHEMBL6270080 0.72
SCHEMBL24165351 0.72 DAO (0.43) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL2804838 0.72 HASPIN (0.49) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL13705844 0.72 HASPIN (0.42) IMPDH2HASPINPRMT3CLK1CSNK1D
SCHEMBL8286954 0.72 CYP19A1 (0.46) IMPDH2HASPINPRMT3CLK1CSNK1D

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-107428692-A Substituted monoazanaphthalene derivatives and polyazanaphthalene derivatives and use thereof 巴斯利尔药物国际股份公司 2017-12-01 CN disclosed