SCHEMBL7984129

SCHEMBL7984129

Cc1ncc(-c2cccc(NC(=N)N)c2)n1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.42
KDR P35968 5/20 0.42
DYRK1A Q13627 11/20 0.41
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
FYN P06241 4/20 0.41
GSK3B P49841 8/20 0.41
WNT1 P04628 3/20 0.41
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39

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
Hydrochloric Acid SCHEMBL7123999 0.99 FGFR3 (0.41) FGFR3KDRDYRK1ADYRK3CCNT1
SCHEMBL7121296 0.87 CYP1A2 (0.50) FGFR3KDRDYRK1AFYNGSK3B
SCHEMBL6808846 0.76 MAPT (0.63) DYRK1AGSK3BCLK2CLK3
SCHEMBL7980096 0.75 DYRK1A (0.51) FGFR3KDRDYRK1AFYNGSK3B
SCHEMBL7980094 0.75 DYRK1A (0.51) FGFR3KDRDYRK1AFYNGSK3B
SCHEMBL6754326 0.74 MAP4K4 (0.49) DYRK1ADYRK3CCNT1CCNA2CDK2
SCHEMBL6756716 0.74 FYN (0.54) DYRK1ACCNT1CDK9FYNGSK3B
SCHEMBL7125139 0.73 ALDH1A1 (0.57)
SCHEMBL6754365 0.73 DYRK1A (0.52) DYRK1AGSK3B
SCHEMBL6804499 0.73 ESRRG (0.59) DYRK1AGSK3B

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
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed