SCHEMBL29611192

SCHEMBL29611192

CC1CN(C(=O)OC(C)(C)C)CCC1C(=O)c1ncc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.46
PDK2 Q15119 2/20 0.42
DPP4 P27487 1/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
GPR119 Q8TDV5 5/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
PIK3CD O00329 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29611180 0.85 HPGD (0.46) USP30DPP4GPR119SMN1; SMN2
SCHEMBL24558188 0.75 USP30 (0.39) USP30DPP4IDO1TDO2GPR119
SCHEMBL31107289 0.75 USP30 (0.39) USP30DPP4IDO1TDO2GPR119
SCHEMBL17224909 0.74 USP30 (0.42) USP30DPP4IDO1TDO2GPR119
SCHEMBL31401077 0.72 USP30 (0.47) USP30DPP4GPR119PIK3CD
SCHEMBL31022332 0.71 GPR119 (0.42) USP30DPP4IDO1TDO2GPR119
SCHEMBL34471700 0.71 GPR119 (0.42) USP30DPP4IDO1TDO2GPR119
SCHEMBL31022118 0.71 GPR119 (0.42) USP30DPP4IDO1TDO2GPR119
SCHEMBL9999452 0.71 GPR119 (0.50) USP30DPP4GPR119SMN1; SMN2
SCHEMBL12847405 0.71 GPR119 (0.50) USP30IDO1TDO2GPR119

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-2022051565-A1 SUBSTITUTED 4-PIPERIDINYL-QUINAZOLINES, 4-PIPERIDINYL-PYRIMIDINE-2-AMINES, AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed