SCHEMBL30273952

SCHEMBL30273952

CCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ PRMT5 O14744 6/20 0.32
▸ TLR9 Q9NR96 4/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CKS1B P61024 2/20 0.32
▸ SKP1 P63208 2/20 0.32
▸ SKP2 Q13309 2/20 0.32
▸ RORC P51449 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ YAP1 P46937 1/20 0.31
▸ SLC16A3 O15427 2/20 0.30
▸ SLC16A1 P53985 2/20 0.30

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
SCHEMBL29197010 0.92 TLR9 (0.34) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30273508 0.90 CMKLR1 (0.36) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL29197711 0.85 PRMT5 (0.38) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL24881049 0.80 CCNT1 (0.38) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30112443 0.80 CCNT1 (0.38) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL23540770 0.78 TLR9 (0.34) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL23541116 0.78 NAMPT (0.41) PRMT5GPR119
SCHEMBL30026597 0.78 NAMPT (0.41) PRMT5GPR119
SCHEMBL34461198 0.77 YAP1 (0.41) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL31434068 0.77 PRMT5 (0.37) CCNT1CCNA2CDK2CDK9CCNA1

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