SCHEMBL6755476

SCHEMBL6755476

N#CC(C#N)=Cc1c[nH]c2ccncc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.63
▸ KIF20A O95235 3/20 0.52
▸ PIP4K2A P48426 1/20 0.44
▸ DYRK1A Q13627 5/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CLK1 P49759 3/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ SNCA P37840 1/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ HASPIN Q8TF76 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL6753342 0.88 APP (0.63) APPKIF20APIP4K2ADYRK1AKMT2A
SCHEMBL6755629 0.81 KDM4E (0.52) APPKIF20AKMT2AALDH1A1MAPT
SCHEMBL6755627 0.81 KDM4E (0.52) APPKIF20AKMT2AALDH1A1MAPT
SCHEMBL6754817 0.81 KIF20A (0.46) APPKIF20APIP4K2ADYRK1AKMT2A
SCHEMBL6754816 0.81 KIF20A (0.46) APPKIF20APIP4K2ADYRK1AKMT2A
SCHEMBL4328855 0.78 APP (1.00) APPKIF20AKMT2AALDH1A1MAPT
SCHEMBL6753348 0.77 KMT2A (0.58) KIF20AKMT2AALDH1A1MAPTMAPK1
SCHEMBL6753346 0.77 KMT2A (0.58) KIF20AKMT2AALDH1A1MAPTMAPK1
SCHEMBL2263957 0.74 CCNT1 (0.62) DYRK1AKMT2AALDH1A1MAPTHTR6
SCHEMBL28321030 0.74 HTR6 (0.47) KIF20ADYRK1AMAPK1HTR6CCNT1

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
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