SCHEMBL25156980

SCHEMBL25156980

c1ncc2cc(-c3c[nH]c4nc(NC5CCCCC5)ncc34)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.51
▸ CDC7 O00311 8/20 0.42
▸ MAP4K4 O95819 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ PRKACA P17612 2/20 0.42
▸ FLT1 P17948 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ ITK Q08881 2/20 0.42
▸ HIPK2 Q9H2X6 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ TYK2 P29597 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
SCHEMBL25520002 0.90 DYRK1A (0.51) TDO2CDC7MAP4K4PRKACAGSK3B
SCHEMBL25519993 0.88 TDO2 (0.47) TDO2GSK3BIRAK4DYRK1ACLK2
SCHEMBL30346585 0.88 DYRK1A (0.49) TDO2CDC7CDK1KDRCCNB1
SCHEMBL25211955 0.88 DYRK1A (0.49) TDO2CDC7CDK1KDRCCNB1
SCHEMBL30347581 0.88 TDO2 (0.49) TDO2MKNK2IRAK4CD38RET
SCHEMBL25519995 0.88 TDO2 (0.49) TDO2MKNK2IRAK4CD38RET
SCHEMBL30347199 0.86 TDO2 (0.49) TDO2DYRK1ACLK2CLK3CDK2
SCHEMBL25157431 0.86 TDO2 (0.49) TDO2DYRK1ACLK2CLK3CDK2
SCHEMBL30407075 0.86 TDO2 (0.48) TDO2IRAK4RETDYRK1ACLK2
SCHEMBL25520358 0.86 TDO2 (0.48) TDO2IRAK4RETDYRK1ACLK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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