SCHEMBL30348149

SCHEMBL30348149

CCn1nnc2ccc(-c3c[nH]c4nc(NCC5CCC(F)(F)CC5)ncc34)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 14/20 0.44
▸ BRD4 O60885 2/20 0.36
▸ IRAK1 P51617 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35

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
SCHEMBL25208447 1.00 TDO2 (0.44) TDO2BRD4IRAK1CDK9DYRK1A
SCHEMBL25157498 0.91 TDO2 (0.41) TDO2BRD4IRAK1DYRK1ACLK2
SCHEMBL30346628 0.91 TDO2 (0.41) TDO2BRD4IRAK1DYRK1ACLK2
SCHEMBL30346554 0.88 TDO2 (0.43) TDO2BRD4DYRK1ACLK2CLK3
SCHEMBL25158118 0.88 TDO2 (0.43) TDO2BRD4DYRK1ACLK2CLK3
SCHEMBL30348319 0.88 TDO2 (0.45) TDO2BRD4CDK9DYRK1ACLK2
SCHEMBL25201563 0.88 TDO2 (0.45) TDO2BRD4CDK9DYRK1ACLK2
SCHEMBL25156953 0.85 TDO2 (0.41) TDO2BRD4CDK9DYRK1ACLK2
SCHEMBL30347948 0.85 TDO2 (0.41) TDO2BRD4CDK9DYRK1ACLK2
SCHEMBL25199262 0.84 TDO2 (0.40) TDO2BRD4CDK9DYRK1ACLK2

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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