SCHEMBL7440131

SCHEMBL7440131

CNc1ncc(NC(=O)C2CCCC2)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ CETP P11597 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
SCHEMBL24978408 0.83 KMT2A (0.46) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23331000 0.80 MEN1 (0.43) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23301458 0.77 ABL1 (0.45) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL23331087 0.71 HDAC1 (0.47) KMT2AHDAC3HDAC1HDAC2
SCHEMBL24978407 0.70 HDAC3 (0.43) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23330648 0.70 HDAC3 (0.46) TSHRSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL7437558 0.69 GSK3B (0.44) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23330999 0.68 HDAC3 (0.40) TSHRSMN1; SMN2KMT2AMEN1PTPN1
SCHEMBL5650768 0.67 SMN1; SMN2 (0.50) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12791628 0.67 CETP (0.64) TSHRSMN1; SMN2KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565566-A N6-(ENDO(1R,2S,4S)-2-NORBORNYL)-9-METHYLADENINE OR N6-(ENDO(1S,2R,4R)-2-NORBORNYL)-9-METHYLADENINE DISCOVERY THERAPEUTICS, INC. (US) 1996-10-15 — — US disclosed
US-5256398-A Mixture of adenosine, or an adenosine antagonist, with an adenosine receptor WHITBY RESEARCH, INC. (US) 1993-10-26 — — US disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS — 1993-03-10 — — EP disclosed
US-5117830-A Dilating the vascular system with adenosine; labeling; supplying a adenosine recetor antagonist WHITBY RESEARCH, INC. (US) 1992-06-02 — — US disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 — — EP disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 — — WO disclosed
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