SCHEMBL30399658

SCHEMBL30399658

O=C(Nc1cnn(C2CCNCC2)c1)c1cnc2[nH]cc(-c3ccc4nccnc4c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.48
▸ CLK1 P49759 2/20 0.48
▸ DYRK1B Q9Y463 2/20 0.48
▸ MAPK7 Q13164 1/20 0.48
▸ PAK1 Q13153 11/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PAK4 O96013 2/20 0.46
▸ DYRK2 Q92630 1/20 0.45
▸ OGA O60502 1/20 0.43
▸ ALK Q9UM73 2/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ GRK5 P34947 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
SCHEMBL26175109 1.00 DYRK1A (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL30400272 0.91 EGFR (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL26175108 0.91 EGFR (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL26175149 0.90 MAPK7 (0.49) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL30400780 0.90 MAPK7 (0.49) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL26175110 0.87 DYRK1A (0.46) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL30399049 0.87 DYRK1A (0.46) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL30399310 0.87 DYRK1A (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL26175076 0.87 DYRK1A (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1
SCHEMBL30400522 0.86 DYRK1A (0.48) DYRK1ACLK1DYRK1BMAPK7PAK1

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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