SCHEMBL11024278

SCHEMBL11024278

CN(C)C=Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTT P42858 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA2 P00918 4/20 0.46
▸ CA4 P22748 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE1A P54750 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
SCHEMBL11024269 1.00 LMNA (0.52) LMNASMN1; SMN2HTTNPSR1MEN1
SCHEMBL11014376 0.83 PDE4A (0.58) CA2CA4CA9ALDH1A1CA1
SCHEMBL11014379 0.83 PDE4A (0.58) CA2CA4CA9ALDH1A1CA1
Dimethylamine SCHEMBL11024282 0.81 LMNA (0.51) LMNASMN1; SMN2HTTNPSR1MEN1
SCHEMBL11151054 0.81 SMN1; SMN2 (0.67) LMNASMN1; SMN2HTTNPSR1MEN1
SCHEMBL11462599 0.78 SMN1; SMN2 (0.84) LMNASMN1; SMN2HTTNPSR1MEN1
Arprinocid SCHEMBL8375355 0.77 ADORA2A (0.60) LMNASMN1; SMN2HTTNPSR1MEN1
Arprinocid SCHEMBL31379008 0.77 ADORA2A (0.60) LMNASMN1; SMN2HTTNPSR1MEN1
Arprinocid SCHEMBL31025603 0.77 ADORA2A (0.60) LMNASMN1; SMN2HTTNPSR1MEN1
Arprinocid SCHEMBL126655 0.77 ADORA2A (0.60) LMNASMN1; SMN2HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076127-B1 6-AMIDINO-9-SUBSTITUTED BENZYL PURINES, THEIR PRODUCTION AND ANTICOCCIDIAL USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1985-06-05 — — EP claimed
US-4407802-A 6-Amidino-9-substituted benzyl purines MERCK & CO., INC. (US) 1983-10-04 — — US claimed
EP-0076127-A2 6-Amidino-9-substituted benzyl purines, their production and anticoccidial use, and compositions containing them MERCK & CO. INC. (US) 1983-04-06 — — EP claimed
EP-0076128-B1 NOVEL PROCESS FOR THE PREPARATION OF N6-ALKYL-ARPRINOCID MERCK & CO. INC. (US) 1985-07-24 — — EP disclosed
EP-0076127-B1 6-AMIDINO-9-SUBSTITUTED BENZYL PURINES, THEIR PRODUCTION AND ANTICOCCIDIAL USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1985-06-05 — — EP disclosed
US-4407802-A 6-Amidino-9-substituted benzyl purines MERCK & CO., INC. (US) 1983-10-04 — — US disclosed
EP-0076127-A2 6-Amidino-9-substituted benzyl purines, their production and anticoccidial use, and compositions containing them MERCK & CO. INC. (US) 1983-04-06 — — EP disclosed
EP-0076128-A2 Novel process for the preparation of N6-alkyl-arprinocid MERCK & CO. INC. (US) 1983-04-06 — — EP disclosed
US-4361699-A Novel process for the preparation of N6 -alkyl-arprinocid MERCK & CO., INC. (US) 1982-11-30 — — US disclosed
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