SCHEMBL29438898

SCHEMBL29438898

Cn1nnc(-c2cc(Br)ccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.50
▸ TEAD1 P28347 4/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ IDH2 P48735 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21054312 1.00 MPO (0.50) MPOTEAD1AKR1C3AKR1C2IDH2
SCHEMBL21054150 0.88 TEAD1 (0.40) MPOTEAD1AKR1C3AKR1C2
SCHEMBL22719726 0.84 MAPT (0.44) MPOTEAD1AKR1C3AKR1C2IDH2
SCHEMBL30061296 0.84 AKR1C3 (0.53) MPOAKR1C3AKR1C2ALDH1A1
SCHEMBL31332060 0.84 AKR1C3 (0.41) MPOTEAD1AKR1C3AKR1C2IDH2
SCHEMBL22718300 0.84 AKR1C3 (0.41) MPOTEAD1AKR1C3AKR1C2IDH2
SCHEMBL21054916 0.84 AKR1C3 (0.53) MPOAKR1C3AKR1C2ALDH1A1
SCHEMBL21090762 0.83 DDR2 (0.48) MPOAKR1C3AKR1C2ALDH1A1GAA
SCHEMBL21054684 0.83 AKR1C3 (0.47) MPOAKR1C3AKR1C2MAPT
SCHEMBL21054301 0.83 AKR1C3 (0.47) MPOAKR1C3AKR1C2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 — — CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
CN-114466839-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-10 — — CN disclosed
EP-3976194-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 — — EP disclosed
EP-3976192-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 — — EP disclosed
Send feedback