SCHEMBL30129838

SCHEMBL30129838

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)OC3CC3)cn2)c(-c2cn(C)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 4/20 0.61
▸ YAP1 P46937 1/20 0.61
▸ BRAF P15056 5/20 0.40
▸ TNNI3K Q59H18 7/20 0.39
▸ MAPT P10636 1/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CCNK O75909 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL24788978 1.00 TEAD1 (0.61) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24788976 0.89 TEAD1 (0.75) TEAD1YAP1TNNI3KTLR2TLR1
SCHEMBL30135282 0.89 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24788980 0.89 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL29438880 0.87 TEAD1 (0.77) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL22718190 0.87 TEAD1 (0.77) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL22718188 0.84 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL29438838 0.84 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24791425 0.84 TEAD1 (0.40) TEAD1YAP1GABRA1GABRG2GABRB3
SCHEMBL24879934 0.84 TEAD1 (0.42) TEAD1YAP1BRAFTNNI3KMAPT

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
CN-115466243-A Heterocyclic compounds for TEAD inhibitors 武汉人福创新药物研发中心有限公司 2022-12-13 — — CN disclosed
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