SCHEMBL25323241

SCHEMBL25323241

C[C@H]1CC=C(c2ccc(C#N)cc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.45
AR P10275 1/20 0.42
ALDH1A1 P00352 1/20 0.39
EGLN2 Q96KS0 4/20 0.39
NR1H2 P55055 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL25323246 1.00 GPR119 (0.45) GPR119ARALDH1A1EGLN2NR1H2
SCHEMBL25320296 0.87 NR1H2 (0.38) GPR119ARNR1H2KDM4D
SCHEMBL30550969 0.87 NR1H2 (0.38) GPR119ARNR1H2KDM4D
SCHEMBL25320301 0.87 NR1H2 (0.38) GPR119ARNR1H2KDM4D
SCHEMBL25322423 0.85 GPR119 (0.41) GPR119NR1H2
SCHEMBL25322429 0.85 GPR119 (0.41) GPR119NR1H2
SCHEMBL24364304 0.85 ESR2 (0.36) GPR119ALDH1A1
SCHEMBL24367169 0.84 MEN1 (0.41)
SCHEMBL24363976 0.84 HDAC2 (0.41)
SCHEMBL25320417 0.82 GPR119 (0.42) GPR119KDM4D

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
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed