SCHEMBL5758424

SCHEMBL5758424

Cc1[nH]cnc1CCNC(=O)c1ncc2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FDPS P14324 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ F10 P00742 1/20 0.33

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
SCHEMBL7559521 0.79 RAB9A (0.53) KMT2AL3MBTL1
SCHEMBL4400656 0.74 GABRR1 (0.53) GABRR1HRH4HRH3HRH2HRH1
SCHEMBL7127675 0.73 CYP1A2 (0.45) KMT2AL3MBTL1
SCHEMBL7771667 0.71 SLC2A1 (0.37) TDP1KMT2A
SCHEMBL7559021 0.70 MERTK (0.37) HTT
SCHEMBL5804723 0.70 ALDH1A1 (0.51) POLB
SCHEMBL14125935 0.70 KDM4E (0.46) KMT2APOLB
SCHEMBL5349497 0.69 HDAC6 (0.36) TDP1KMT2APOLBHTT
SCHEMBL31269349 0.69 HSD17B10 (0.33) GABRR1HTT
SCHEMBL4436717 0.69 HSD17B10 (0.33) GABRR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255764-B8 PURINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP claimed
JP-2004508284-A — — 2004-03-18 — — JP claimed
EP-1255764-A1 PURINE DERIVATIVES PFIZER INC. (US) 2002-11-13 — — EP claimed
WO-2001060835-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-08-23 — — WO claimed
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