SCHEMBL28909334

SCHEMBL28909334

[CH2]Cc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ACP1 P24666 4/20 0.50
HCRTR1 O43613 1/20 0.50
ATM Q13315 2/20 0.49
GBA1 P04062 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.49
MAPK1 P28482 1/20 0.46

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
SCHEMBL7831588 0.81 PDE5A (0.50) PDE5AMEN1KMT2AACP1HCRTR1
SCHEMBL10316110 0.81 ACP1 (0.58) PDE5AMEN1KMT2AACP1HCRTR1
SCHEMBL27576034 0.77 MEN1 (0.61) PDE5AMEN1KMT2AACP1HCRTR1
SCHEMBL5806670 0.76 KMT2A (0.64) KMT2AATML3MBTL1MAPK1
SCHEMBL1085568 0.76 MEN1 (0.49) PDE5AMEN1KMT2AACP1HCRTR1
SCHEMBL13502532 0.75 PRNP (0.59) PDE5AMEN1KMT2AHCRTR1ATM
SCHEMBL10674022 0.75 SIRT5 (0.58) MEN1KMT2AHCRTR1L3MBTL1ABCG2
SCHEMBL27873631 0.75 ABCG2 (0.57) PDE5AMEN1KMT2AACP1ATM
SCHEMBL2640214 0.75 ABCG2 (0.53) PDE5AMEN1KMT2AACP1ATM
SCHEMBL7759073 0.73 PRNP (0.60) MEN1KMT2AHCRTR1ATML3MBTL1

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
CN-106458933-B Quinazoline scaffold-based compounds, pharmaceutical compositions thereof, and methods of use 泰克年研究发展基金会公司 2021-03-05 CN disclosed