SCHEMBL30346583

SCHEMBL30346583

CN1CCC(CNc2ncc3c(-c4ccc5nnn(C)c5c4)c[nH]c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ TDO2 P48775 10/20 0.42
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ DYRK1B Q9Y463 2/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ VNN1 O95497 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ LMNA P02545 1/20 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
SCHEMBL25194734 1.00 DYRK1A (0.43) DYRK1ACLK2CLK3TDO2SCN5A
SCHEMBL25201563 0.91 TDO2 (0.45) DYRK1ACLK2CLK3TDO2SCN5A
SCHEMBL30348319 0.91 TDO2 (0.45) DYRK1ACLK2CLK3TDO2SCN5A
SCHEMBL30346628 0.89 TDO2 (0.41) DYRK1ACLK2CLK3TDO2BRD4
SCHEMBL25157498 0.89 TDO2 (0.41) DYRK1ACLK2CLK3TDO2BRD4
SCHEMBL25220651 0.86 DYRK1A (0.48) DYRK1ACLK2CLK3TDO2DYRK1B
SCHEMBL30348435 0.86 DYRK1A (0.48) DYRK1ACLK2CLK3TDO2DYRK1B
SCHEMBL30406857 0.85 DYRK1A (0.49) DYRK1ACLK2CLK3DYRK1BBRD4
SCHEMBL25519924 0.85 DYRK1A (0.49) DYRK1ACLK2CLK3DYRK1BBRD4
SCHEMBL25215082 0.84 TDO2 (0.44) DYRK1ACLK2CLK3TDO2BRD4

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-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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