SCHEMBL24620830

SCHEMBL24620830

O=C(c1cccnc1)c1cc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.62
▸ TBXAS1 P24557 1/20 0.58
▸ BCL2L1 Q07817 1/20 0.53
▸ DYRK1B Q9Y463 3/20 0.51
▸ CLK1 P49759 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ MAP2K1 Q02750 2/20 0.51
▸ HSD17B1 P14061 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL10857915 0.83 CYP1A2 (0.51) DYRK1ATBXAS1DYRK1BCLK1MAP2K1
SCHEMBL30298112 0.83 TBXAS1 (0.54) DYRK1ATBXAS1BCL2L1DYRK1BCNR1
SCHEMBL15395548 0.83 PLOD2 (0.60) DYRK1ATBXAS1BCL2L1DYRK1BMAP2K1
SCHEMBL8338532 0.82 DYRK1A (0.76) DYRK1ABCL2L1DYRK1BCLK1CNR1
SCHEMBL24621241 0.81 MAP2K1 (0.47) DYRK1ATBXAS1MAP2K1HDAC1HDAC6
SCHEMBL13045530 0.81 DYRK1A (0.73) DYRK1ABCL2L1DYRK1BCLK1CNR1
SCHEMBL6321234 0.79 BCL2L1 (0.74) DYRK1ABCL2L1DYRK1BCLK1CNR1
SCHEMBL31356465 0.79 BCL2L1 (0.74) DYRK1ABCL2L1DYRK1BCLK1CNR1
SCHEMBL11648291 0.75 DYRK1A (0.74) DYRK1ABCL2L1DYRK1BCLK1CNR1
SCHEMBL28260363 0.75 DYRK1A (0.69) DYRK1ABCL2L1DYRK1BCLK1CNR1

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-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 — — WO disclosed
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