SCHEMBL25036448

SCHEMBL25036448

Cc1nn(C2CCC(=O)NC2=O)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 1/20 0.45
▸ CDK13 Q14004 1/20 0.45
▸ CDK12 Q9NYV4 1/20 0.45
▸ DDB1 Q16531 7/20 0.45
▸ CRBN Q96SW2 7/20 0.45
▸ SOS1 Q07889 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40

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
SCHEMBL30888762 0.85 BRD4 (0.45) CDK7CDK13CDK12DDB1CRBN
SCHEMBL29197781 0.85 BRD4 (0.45) CDK7CDK13CDK12DDB1CRBN
SCHEMBL30273802 0.82 DDB1 (0.46) CDK7CDK13CDK12DDB1CRBN
SCHEMBL25036449 0.82 DDB1 (0.56) DDB1CRBNNAMPTTLR7
SCHEMBL31692160 0.82 DDB1 (0.56) DDB1CRBNNAMPTTLR7
SCHEMBL31073284 0.82 JAK1 (0.45) CDK7CDK13CDK12DDB1CRBN
SCHEMBL30274113 0.81 CDK7 (0.43) CDK7CDK13CDK12DDB1CRBN
SCHEMBL30273496 0.81 DDB1 (0.65) DDB1CRBNBRD4GRM5GRM1
SCHEMBL31073198 0.81 DDB1 (0.43) CDK7CDK13CDK12DDB1CRBN
SCHEMBL31160909 0.80 DDB1 (0.48) CDK7CDK13CDK12DDB1CRBN

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
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
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