SCHEMBL5760079

SCHEMBL5760079

O=C(NCC1CCNCC1)c1ncc2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 2/20 0.43
▸ PBK Q96KB5 2/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ CHRM1 P11229 6/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.41
▸ EP300 Q09472 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ HTR4 Q13639 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL27702710 0.72 SMYD3 (0.53) FLT3SMYD3HTR4
Hydrochloric Acid SCHEMBL2355818 0.71 SMYD3 (0.52) FLT3SMYD3HTR4
SCHEMBL7127675 0.71 CYP1A2 (0.45) —
SCHEMBL31269349 0.69 HSD17B10 (0.33) —
SCHEMBL4436717 0.69 HSD17B10 (0.33) —
SCHEMBL5758424 0.68 GABRR1 (0.40) HTR3A
SCHEMBL6343838 0.68 SMN1; SMN2 (0.50) —
SCHEMBL25211639 0.68 ITGB3 (0.51) PBKCHRM1SMYD3HTR4
SCHEMBL1721310 0.68 GDA (0.39) —
SCHEMBL7771667 0.68 SLC2A1 (0.37) —

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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