Methylpiperazine

Methylpiperazine

SCHEMBL6229199

CN1CCNCC1.COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CCN(C)CC5)c4)sc23)c(Cl)cc1Cl

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.92
ABL1 P00519 2/20 0.74
ABL2 P42684 2/20 0.74
FYN P06241 1/20 0.69
EGFR P00533 1/20 0.67
RAF1 P04049 1/20 0.67
MAP2K1 Q02750 1/20 0.67

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
SCHEMBL4904817 0.96 SRC (1.00) SRCABL1ABL2FYNEGFR
Morpholine SCHEMBL6227719 0.91 SRC (0.80) SRCABL1ABL2
Methylpiperazine SCHEMBL6232650 0.90 SRC (0.92) SRCABL1ABL2EGFRRAF1
SCHEMBL4902202 0.89 SRC (0.86) SRCABL1ABL2FYN
SCHEMBL4899282 0.85 SRC (1.00) SRCABL1ABL2FYNEGFR
SCHEMBL4904386 0.84 SRC (1.00) SRCABL1ABL2EGFRRAF1
SCHEMBL4904695 0.84 SRC (1.00) SRCABL1ABL2EGFRRAF1
SCHEMBL4895274 0.84 SRC (0.85) SRCABL1ABL2EGFRRAF1
SCHEMBL4898181 0.84 SRC (0.86) SRCABL1ABL2EGFRRAF1
SCHEMBL4905003 0.83 SRC (1.00) SRCABL1ABL2EGFRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565474-A2 THIENO[3,2-B]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2005-08-24 EP disclosed
WO-2004048386-A9 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2005-07-14 WO disclosed
WO-2004048386-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2004-06-10 WO disclosed