SCHEMBL24501061

SCHEMBL24501061

Cn1cnc(-c2cc(C(=O)NCCOCC=O)ccc2Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ NTRK1 P04629 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ PPARD Q03181 3/20 0.37
▸ METAP2 P50579 2/20 0.36
▸ ABL1 P00519 1/20 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
SCHEMBL29648356 1.00 TEAD1 (0.41) TEAD1YAP1PRKAB2PRKAG1PRKAA2
SCHEMBL29648409 0.92 TEAD1 (0.43) TEAD1YAP1PRKAB2PRKAG1PRKAA2
SCHEMBL24496104 0.92 TEAD1 (0.43) TEAD1YAP1PRKAB2PRKAG1PRKAA2
SCHEMBL24501749 0.89 TEAD1 (0.39) TEAD1YAP1PRKAB2PRKAG1PRKAA2
SCHEMBL24496100 0.82 TLR2 (0.51) TEAD1YAP1NTRK1NTRK3NTRK2
SCHEMBL24496101 0.82 TEAD1 (0.49) TEAD1YAP1NTRK1NTRK3NTRK2
SCHEMBL24501691 0.81 TEAD1 (0.47) TEAD1YAP1PRKAB2PRKAG1PRKAA2
SCHEMBL29704148 0.80 TEAD1 (0.46) TEAD1YAP1NTRK1NTRK3NTRK2
SCHEMBL26669288 0.80 TEAD1 (0.46) TEAD1YAP1NTRK1NTRK3NTRK2
SCHEMBL24496368 0.76 NTRK1 (0.43) TEAD1YAP1NTRK1NTRK3NTRK2

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