SCHEMBL30055916

SCHEMBL30055916

Cn1cc2c3cc(NC(=O)CCl)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.64
TEAD4 Q15561 1/20 0.64
TEAD2 Q15562 1/20 0.64
TEAD3 Q99594 1/20 0.64
MALT1 Q9UDY8 3/20 0.43
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 2/20 0.39
KCNQ5 Q9NR82 2/20 0.39
GSTO1 P78417 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.37
ANXA2 P07355 1/20 0.37

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
SCHEMBL24015646 1.00 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3MALT1
SCHEMBL24015693 0.91 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24016573 0.88 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015955 0.85 TEAD1 (0.62) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL30055697 0.85 TEAD1 (0.62) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24016542 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015783 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015665 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016138 0.84 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015631 0.84 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
CN-117616028-A 2, 8-dihydropyrazolo [3,4-B ] indole derivatives for the treatment of cancer 默克专利股份公司 2024-02-27 CN disclosed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP disclosed
WO-2022233442-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2022-11-10 WO disclosed