Methylpiperazine

Methylpiperazine

SCHEMBL6315124

CN1CCN(Cc2ccc(-c3cc4ncc(C#N)c(Nc5ccc(Oc6ccccc6)cc5)c4s3)cc2)CC1.CN1CCNCC1

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.91
ABL1 P00519 2/20 0.61
ABL2 P42684 2/20 0.61
PRKCQ Q04759 1/20 0.52
PRKCD Q05655 1/20 0.52
EGFR P00533 1/20 0.52
RAF1 P04049 1/20 0.52
MAP2K1 Q02750 1/20 0.52

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
SCHEMBL4892616 0.96 SRC (1.00) SRCABL1ABL2PRKCQPRKCD
SCHEMBL4901174 0.87 SRC (0.83) SRCABL1ABL2PRKCQPRKCD
Methylpiperazine SCHEMBL6230502 0.85 SRC (0.70) SRCABL1ABL2EGFRRAF1
SCHEMBL6231708 0.83 SRC (0.77) SRCABL1ABL2PRKCQPRKCD
Methylpiperazine SCHEMBL6232650 0.81 SRC (0.92) SRCABL1ABL2EGFRRAF1
SCHEMBL4900882 0.81 SRC (0.72) SRCRAF1MAP2K1
SCHEMBL4896294 0.80 SRC (0.75) SRCABL1ABL2EGFRRAF1
SCHEMBL13480823 0.80 SRC (0.71) SRCABL1ABL2PRKCQPRKCD
SCHEMBL4897988 0.79 SRC (0.81) SRCABL1ABL2EGFRRAF1
SCHEMBL4904389 0.79 SRC (0.73) 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 2 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-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