SCHEMBL22010736

SCHEMBL22010736

CC(C)(C)OC(=O)N1CC2C=C(c3ccc(Oc4ncccn4)cc3)CC2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.45
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
GPR119 Q8TDV5 2/20 0.41
PDE10A Q9Y233 2/20 0.39
TNK2 Q07912 1/20 0.39
USP30 Q70CQ3 2/20 0.38
GRM5 P41594 1/20 0.38
POLB P06746 1/20 0.38
GRM2 Q14416 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
SCHEMBL22010485 1.00 BTK (0.45) BTKCCNT1CDK9GPR119PDE10A
SCHEMBL22010483 1.00 BTK (0.45) BTKCCNT1CDK9GPR119PDE10A
SCHEMBL22010468 0.88 BTK (0.47) BTKCCNT1CDK9GPR119TNK2
SCHEMBL22010469 0.88 BTK (0.47) BTKCCNT1CDK9GPR119TNK2
SCHEMBL22010906 0.87 BTK (0.52) BTKCCNT1CDK9GPR119TNK2
SCHEMBL30161685 0.87 BTK (0.52) BTKCCNT1CDK9GPR119TNK2
SCHEMBL22010912 0.84 BTK (0.44) BTKCCNT1CDK9GPR119POLB
SCHEMBL22011041 0.84 BTK (0.44) BTKCCNT1CDK9GPR119POLB
SCHEMBL15803567 0.82 CCNT1 (0.47) CCNT1CDK9GPR119USP30GRM2
SCHEMBL15803568 0.82 CCNT1 (0.47) CCNT1CDK9GPR119USP30GRM2

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