SCHEMBL29648323

SCHEMBL29648323

CNS(=O)(=O)c1cnc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.58
▸ YAP1 P46937 1/20 0.58
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE2A O00408 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36
▸ ATP1A3 P13637 1/20 0.36
▸ ATP1B2 P14415 1/20 0.36
▸ ATP1A2 P50993 1/20 0.36
▸ ATP1B3 P54709 1/20 0.36
▸ FXYD2 P54710 1/20 0.36
▸ ATP1A4 Q13733 1/20 0.36

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
SCHEMBL24496110 1.00 TEAD1 (0.58) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL22718228 0.87 TEAD1 (0.43) TEAD1YAP1MAPTEGFRATP1A1
SCHEMBL22718231 0.87 TEAD1 (0.43) TEAD1YAP1MAPTEGFRATP1A1
SCHEMBL22718246 0.87 TEAD1 (0.43) TEAD1YAP1MAPTEGFRATP1A1
SCHEMBL22718168 0.86 TEAD1 (0.72) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL29438844 0.86 TEAD1 (0.72) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL22718346 0.86 TEAD1 (0.72) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL22718170 0.86 TEAD1 (0.72) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL29438888 0.86 TEAD1 (0.72) TEAD1YAP1TSHRL3MBTL1PDE2A
SCHEMBL24496032 0.82 TEAD1 (0.59) TEAD1YAP1TSHRL3MBTL1PDE2A

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
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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