SCHEMBL6755673

SCHEMBL6755673

N#C/C(=C/c1c[nH]c2ncccc12)C(N)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
NEK2 P51955 2/20 0.53
PLK1 P53350 1/20 0.53
KMT2A Q03164 2/20 0.50
KIF20A O95235 2/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
LRRK2 Q5S007 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL6755674 1.00 CHEK1 (0.58) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL6753353 0.87 NEK2 (0.68) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL6753356 0.87 NEK2 (0.68) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL29194854 0.83 CHEK1 (0.59) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL30845335 0.83 CHEK1 (0.59) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL6758581 0.81 CHEK1 (0.66) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL3061006 0.80 POLB (0.68) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL3061008 0.80 POLB (0.68) CHEK1NEK2PLK1KMT2AKIF20A
SCHEMBL6758573 0.80 MAPT (0.44) NEK2PLK1KMT2AKIF20AMAPT
SCHEMBL6758571 0.80 MAPT (0.44) NEK2PLK1KMT2AKIF20AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3507497-B2 2004-03-15 JP claimed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP claimed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP claimed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO claimed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP disclosed
US-5397787-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1995-03-14 US disclosed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP disclosed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO disclosed