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SCHEMBL22010505

SCHEMBL22010505

CC(C)(C)OC(=O)N1CC2C=C(c3ccc(Oc4cccc(C#N)c4)cc3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.42
▸ GPR119 Q8TDV5 3/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ MGLL Q99685 5/20 0.38
▸ EGLN2 Q96KS0 2/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL22010486 1.00 BTK (0.42) BTKGPR119CCNT1CDK9MGLL
SCHEMBL22010771 0.91 GPR119 (0.48) BTKGPR119CCNT1CDK9EGLN2
SCHEMBL22010769 0.91 GPR119 (0.48) BTKGPR119CCNT1CDK9EGLN2
SCHEMBL22010912 0.87 BTK (0.44) BTKGPR119CCNT1CDK9BACE1
SCHEMBL22011041 0.87 BTK (0.44) BTKGPR119CCNT1CDK9BACE1
SCHEMBL30161685 0.86 BTK (0.52) BTKGPR119CCNT1CDK9
SCHEMBL22010906 0.86 BTK (0.52) BTKGPR119CCNT1CDK9
SCHEMBL22011512 0.84 CCNT1 (0.43) BTKGPR119CCNT1CDK9
SCHEMBL22010768 0.84 CCNT1 (0.43) BTKGPR119CCNT1CDK9
SCHEMBL22010468 0.81 BTK (0.47) BTKGPR119CCNT1CDK9

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 — — WO disclosed