SCHEMBL4045372

SCHEMBL4045372

Nc1cnc2nc(N)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
BACE1 P56817 10/20 0.41
NCF1 P14598 10/20 0.41
NOS2 P35228 1/20 0.41
NCK1 P16333 1/20 0.41
CYBB P04839 1/20 0.34

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
SCHEMBL31663159 0.84 PLAU (0.40) PLAUBACE1NCF1NOS2NCK1
SCHEMBL3638905 0.84 PLAU (0.40) PLAUBACE1NCF1NOS2NCK1
SCHEMBL25106981 0.81 BACE1 (0.41) PLAUBACE1NCF1NOS2NCK1
SCHEMBL25449341 0.77 BACE1 (0.38) PLAUBACE1NCF1NOS2NCK1
SCHEMBL6644292 0.74 PLAU (0.40) PLAUBACE1NCF1NOS2NCK1
SCHEMBL8628087 0.74 PLAU (0.59) PLAUBACE1NCF1NOS2NCK1
SCHEMBL2933558 0.74 PRMT5 (0.46) BACE1NCF1NOS2
SCHEMBL30531684 0.74 PRMT5 (0.46) BACE1NCF1NOS2
SCHEMBL3638928 0.72 PIK3CD (0.42) PLAUBACE1NOS2
SCHEMBL2928822 0.70 BCHE (0.46) BACE1NCF1NOS2

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-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP claimed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP claimed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO claimed