SCHEMBL4009740

SCHEMBL4009740

Nc1ncc(Br)nc1-c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.51
METAP1 P53582 2/20 0.51
CBFB Q13951 1/20 0.49
CYP11B1 P15538 1/20 0.48
ATR Q13535 4/20 0.48
AMY1A P0DUB6 9/20 0.47
IDO1 P14902 1/20 0.46
TCF4 P15884 1/20 0.45
CTNNB1 P35222 1/20 0.45

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
SCHEMBL4045369 0.89 ATR (0.46) METAP2METAP1CBFBATR
SCHEMBL4039745 0.85 CBFB (0.47) CBFBATR
SCHEMBL560162 0.84 ATR (0.60) METAP2METAP1CBFBATR
SCHEMBL4006784 0.82 METAP2 (0.56) METAP2METAP1CBFBCYP11B1ATR
SCHEMBL560241 0.80 ATR (0.68) ATR
SCHEMBL4046492 0.80 PDE10A (0.40) CBFBATR
SCHEMBL4050888 0.75 NPBWR1 (0.46) CBFBATR
SCHEMBL6401549 0.75 ALDH1A1 (0.65) METAP2METAP1CBFBCYP11B1AMY1A
SCHEMBL5119801 0.75 CDK1 (0.64) METAP2METAP1CBFBCYP11B1AMY1A
SCHEMBL5118616 0.73 CDK1 (0.77) METAP2METAP1CBFBCYP11B1ATR

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 1 patent. 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 disclosed