SCHEMBL24016248

SCHEMBL24016248

Cc1cc(CNC(=O)c2ccc3c(c2)c2cn(C)nc2n3-c2ccc(C(F)(F)F)cc2)cc(C)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.66
TEAD4 Q15561 1/20 0.66
TEAD2 Q15562 1/20 0.66
TEAD3 Q99594 1/20 0.66
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RORC P51449 3/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PPARG P37231 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL24016306 0.91 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24015634 0.90 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016635 0.89 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016637 0.88 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016493 0.88 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016668 0.87 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016129 0.86 TEAD1 (0.74) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016185 0.86 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016563 0.85 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL30375620 0.85 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ALDH1A1

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-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed