SCHEMBL30399136

SCHEMBL30399136

O=C(Nc1cncc(F)c1)c1cnc2[nH]cc(-c3ccc4c(c3)OC3(CCNCC3)CC4=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.49
▸ CLK1 P49759 10/20 0.49
▸ DYRK1B Q9Y463 2/20 0.45
▸ RAF1 P04049 5/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PRKD3 O94806 4/20 0.37
▸ MAP4K4 O95819 4/20 0.37
▸ EGFR P00533 4/20 0.37

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
SCHEMBL26175186 1.00 DYRK1A (0.49) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL26175183 0.85 DYRK1A (0.51) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL30399726 0.85 DYRK1A (0.51) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL26174724 0.85 HDAC8 (0.45) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL30399311 0.83 DYRK1A (0.42) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL26175107 0.83 DYRK1A (0.42) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL30399776 0.81 DYRK1A (0.45) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL26175224 0.81 DYRK1A (0.45) DYRK1ACLK1DYRK1BRAF1KCNH2
SCHEMBL30400709 0.80 RAF1 (0.45) DYRK1ACLK1RAF1KCNH2HDAC3
SCHEMBL26177362 0.80 RAF1 (0.45) DYRK1ACLK1RAF1KCNH2HDAC3

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
EP-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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