Sugi Predict

Sugi Predict / Compounds / Methylpiperazine

Methylpiperazine

Methylpiperazine

SCHEMBL7201126

CN1CCNCC1.COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCN(C)CC5)s4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.92
▸ FYN P06241 4/20 0.73
▸ ABL1 P00519 2/20 0.69
▸ ABL2 P42684 1/20 0.64
▸ EGFR P00533 1/20 0.63
▸ MAP2K1 Q02750 1/20 0.63

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
SCHEMBL3215290 0.96 SRC (1.00) SRCFYNABL1ABL2EGFR
SCHEMBL3227586 0.90 SRC (0.89) SRCFYNABL1EGFRMAP2K1
SCHEMBL3229395 0.90 SRC (0.88) SRCFYNEGFRMAP2K1
SCHEMBL3216225 0.89 SRC (1.00) SRCFYNEGFRMAP2K1
SCHEMBL3231084 0.87 SRC (0.83) SRCFYNEGFRMAP2K1
SCHEMBL3232808 0.85 SRC (0.80) SRCFYNEGFRMAP2K1
SCHEMBL3228876 0.85 SRC (1.00) SRCFYNABL1EGFRMAP2K1
SCHEMBL7670068 0.85 SRC (0.79) SRCFYNABL1EGFRMAP2K1
SCHEMBL3222680 0.84 SRC (1.00) SRCFYNABL1ABL2EGFR
SCHEMBL4904695 0.83 SRC (1.00) SRCABL1ABL2EGFRMAP2K1

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-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 — — EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 — — WO disclosed