SCHEMBL30399724

SCHEMBL30399724

CN1CCC(NC(=O)c2cnc3[nH]cc(-c4ccc5ncnc(NC6CCN(C)CC6)c5c4)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.51
▸ DYRK1B Q9Y463 4/20 0.50
▸ CD38 P28907 2/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ USP2 O75604 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MAP3K11 Q16584 1/20 0.44
▸ PIK3CA P42336 1/20 0.43

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
SCHEMBL26174954 1.00 DYRK1A (0.51) DYRK1ADYRK1BCD38CYP1A2USP2
SCHEMBL30400346 0.90 MAP3K11 (0.53) DYRK1ADYRK1BCD38CYP1A2USP2
SCHEMBL26174993 0.90 MAP3K11 (0.53) DYRK1ADYRK1BCD38CYP1A2USP2
SCHEMBL26174951 0.88 MAP4K1 (0.47) DYRK1ADYRK1BMAP3K11
SCHEMBL30399949 0.88 MAP4K1 (0.47) DYRK1ADYRK1BMAP3K11
SCHEMBL26174952 0.88 DYRK1A (0.53) DYRK1ADYRK1BCYP1A2USP2CYP3A4
SCHEMBL30399196 0.88 DYRK1A (0.53) DYRK1ADYRK1BCYP1A2USP2CYP3A4
SCHEMBL30400811 0.86 DYRK1A (0.47) DYRK1ADYRK1BCD38CYP1A2USP2
SCHEMBL26175034 0.86 DYRK1A (0.47) DYRK1ADYRK1BCD38CYP1A2USP2
SCHEMBL30399937 0.86 DYRK1A (0.52) DYRK1ADYRK1BCD38CYP1A2IRAK4

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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