SCHEMBL30346554

SCHEMBL30346554

CCn1nnc2ccc(-c3c[nH]c4nc(NC5CCC(F)(F)CC5)ncc34)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 14/20 0.43
▸ BRD4 O60885 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL25158118 1.00 TDO2 (0.43) TDO2BRD4MAP3K11DYRK1ACLK2
SCHEMBL25199123 0.91 TDO2 (0.42) TDO2BRD4MAP3K11DYRK1ACLK2
SCHEMBL30347782 0.91 TDO2 (0.42) TDO2BRD4MAP3K11DYRK1ACLK2
SCHEMBL30346621 0.90 TDO2 (0.38) TDO2BRD4MAP3K11DYRK1ACLK2
SCHEMBL25211350 0.90 TDO2 (0.38) TDO2BRD4MAP3K11DYRK1ACLK2
SCHEMBL25208447 0.88 TDO2 (0.44) TDO2BRD4DYRK1ACLK2CLK3
SCHEMBL30348149 0.88 TDO2 (0.44) TDO2BRD4DYRK1ACLK2CLK3
SCHEMBL25204091 0.88 TDO2 (0.48) TDO2DYRK1ACLK2GSK3BMAPK1
SCHEMBL25197263 0.88 DYRK1A (0.46) TDO2DYRK1ACLK2CLK3DYRK1B
SCHEMBL30348658 0.88 DYRK1A (0.46) TDO2DYRK1ACLK2CLK3DYRK1B

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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