SCHEMBL6758573

SCHEMBL6758573

N#CC(=Cc1c[nH]c2cccnc12)C(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.44
KDM4E B2RXH2 7/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
POLB P06746 3/20 0.41
RECQL P46063 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
KCNMA1 Q12791 1/20 0.39
APP P05067 1/20 0.39
KIF20A O95235 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL6758571 1.00 MAPT (0.44) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL6758597 0.87 NEK2 (0.50) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL6758589 0.87 NEK2 (0.50) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL8325698 0.81 APP (0.59) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6755674 0.80 CHEK1 (0.58) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL6755673 0.80 CHEK1 (0.58) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL8322010 0.76 KMT2A (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8322008 0.76 KMT2A (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6754816 0.74 KIF20A (0.46) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL6755586 0.74 KIF20A (0.46) MAPTKDM4EGAAALDH1A1MEN1

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