SCHEMBL29648438

SCHEMBL29648438

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(C3COC3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 5/20 0.55
▸ YAP1 P46937 1/20 0.55
▸ TNNI3K Q59H18 5/20 0.45
▸ MAPT P10636 1/20 0.43
▸ BRAF P15056 4/20 0.40
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ CCR6 P51684 2/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL24496208 1.00 TEAD1 (0.55) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL22718131 0.92 TEAD1 (0.58) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL22718221 0.91 TEAD1 (0.56) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL29438880 0.84 TEAD1 (0.77) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL22718190 0.84 TEAD1 (0.77) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL22718252 0.81 TEAD1 (0.59) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL29648363 0.81 CCR6 (0.41) TEAD1YAP1MAPTCCR6
SCHEMBL24496211 0.81 CCR6 (0.41) TEAD1YAP1MAPTCCR6
SCHEMBL20779719 0.81 TEAD1 (0.74) TEAD1YAP1TNNI3KMAPTTLR2
SCHEMBL22718177 0.80 TEAD1 (0.55) TEAD1YAP1TNNI3KMAPTBRAF

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