SCHEMBL25339701

SCHEMBL25339701

Cn1nc2cc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)ccn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ TP53 P04637 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ CCKBR P32239 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ MAT2A P31153 2/20 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
SCHEMBL30544052 1.00 TEAD1 (0.40) TEAD1YAP1TP53MAPTJAK2
SCHEMBL25338341 0.80 TAS2R14 (0.40) TEAD1YAP1TP53MAPTAKR1C3
SCHEMBL25952101 0.80 BRD4 (0.39) TP53JAK2JAK3
SCHEMBL25339003 0.80 SLC6A2 (0.38) MAPTMAT2A
SCHEMBL30544058 0.80 SLC6A2 (0.38) MAPTMAT2A
SCHEMBL30544084 0.75 ALOX5AP (0.44) TEAD1YAP1TP53MAPTJAK2
SCHEMBL25429357 0.73 TP53 (0.42) TEAD1YAP1TP53MAPTJAK2
SCHEMBL25377073 0.72 TP53 (0.45) TEAD1YAP1TP53MAPTJAK2
SCHEMBL30482521 0.72 TP53 (0.45) TEAD1YAP1TP53MAPTJAK2
SCHEMBL25955668 0.72 TEAD1 (0.37) TEAD1YAP1TP53MAPTJAK2

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-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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