SCHEMBL30128609

SCHEMBL30128609

O=c1c2cc(F)ccc2ncn1CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ P2RX3 P56373 7/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ ALPL P05186 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ MMP13 P45452 1/20 0.43
▸ CASR P41180 1/20 0.42
▸ EIF4EBP1 Q13541 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL30129021 0.85 GRK2 (0.49) GRK2P2RX3APPHDAC1HDAC2
SCHEMBL30128600 0.85 TRPA1 (0.52) GRK2KDM4EP2RX3
SCHEMBL30128680 0.85 MCL1 (0.50) GRK2P2RX3APPHDAC1HDAC2
SCHEMBL30128619 0.85 GRK2 (0.52) GRK2P2RX3MMP13CASR
SCHEMBL30128753 0.81 P2RX3 (0.61) KDM4EP2RX3
SCHEMBL28389854 0.81 SMN1; SMN2 (0.53) GRK2
SCHEMBL30128668 0.81 L3MBTL1 (0.58) GRK2P2RX3
SCHEMBL3314021 0.79 MEN1 (0.45) GRK2P2RX3ALPLALPGMMP13
SCHEMBL30128824 0.77 PDE5A (0.51) GRK2EIF4EBP1APPHDAC1HDAC2
SCHEMBL2828446 0.76 CASR (0.47) GRK2P2RX3ALPLALPGMMP13

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-111116552-B Quinazolinone compound and preparation method thereof 河北科技大学 2022-10-11 — — CN disclosed
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