SCHEMBL27313007

SCHEMBL27313007

Nc1nccc(-c2ccnn2-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
AURKA O14965 1/20 0.53
PRKACA P17612 1/20 0.53
ADORA2A P29274 1/20 0.53
POLB P06746 1/20 0.50
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NR3C2 P08235 1/20 0.44
GRM4 Q14833 1/20 0.43
CDC7 O00311 4/20 0.42
DYRK1A Q13627 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTK2 Q05397 1/20 0.41
MAPK9 P45984 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 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
SCHEMBL27315070 0.81 POLB (0.42) POLBRAB9ANPC1NR3C2KDM4E
SCHEMBL6071072 0.78 DYRK1A (0.41) POLBRAB9ANPC1NR3C2DYRK1A
SCHEMBL19924519 0.78 PDE10A (0.44) POLBNR3C2ALDH1A1MAPK9MAPK13
SCHEMBL6070872 0.76 MDM2 (0.40) POLBRAB9ANR3C2DYRK1AHTT
SCHEMBL7256639 0.76 MDM2 (0.38) POLBNR3C2KDM4EALDH1A1MAPK9
SCHEMBL27309749 0.74 MAPK9 (0.48) HSP90AA1POLBNR3C2KDM4EALDH1A1
SCHEMBL27353154 0.74 POLB (0.53) POLBRAB9ANPC1NR3C2KDM4E
SCHEMBL15452435 0.74 GRM4 (0.54) HSP90AA1AURKAPRKACAADORA2ARAB9A
SCHEMBL16877063 0.73 HSP90AA1 (0.46) HSP90AA1AURKAPRKACAADORA2ARAB9A
SCHEMBL6070069 0.71 CDK2 (0.53) DYRK1APTK2GSK3BCDK4CDK2

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-1031570-C Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-04-17 CN disclosed
CN-1044656-A Pyrazolopyridine compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-08-15 CN disclosed