SCHEMBL4455054

SCHEMBL4455054

Nc1ncc(-c2cccc(C(=O)NCCCN3CCCCC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.76
MAP4K4 O95819 1/20 0.50
SMYD2 Q9NRG4 1/20 0.49

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
SCHEMBL4014260 0.93 ATR (0.68) ATR
SCHEMBL4163487 0.93 ATR (0.68) ATR
SCHEMBL4443019 0.92 ATR (0.69) ATRMAP4K4
SCHEMBL4013029 0.88 ATR (0.73) ATRMAP4K4
SCHEMBL2481992 0.86 ATR (1.00) ATR
SCHEMBL4450649 0.84 ATR (0.68) ATR
SCHEMBL4443884 0.84 ATR (0.70) ATR
SCHEMBL23153622 0.83 ATR (0.78) ATR
SCHEMBL4008932 0.82 ATR (0.58) ATR
SCHEMBL4445355 0.81 ATR (0.59) ATRMAP4K4

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
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed