SCHEMBL24016129

SCHEMBL24016129

CCNC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.74
TEAD4 Q15561 1/20 0.74
TEAD2 Q15562 1/20 0.74
TEAD3 Q99594 1/20 0.74
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
P2RY14 Q15391 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MCHR1 Q99705 1/20 0.39
RORC P51449 1/20 0.39
SCN9A Q15858 3/20 0.38
RECQL P46063 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
SCHEMBL24016563 0.92 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL30375620 0.90 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015683 0.90 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016529 0.90 TEAD1 (0.77) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015681 0.90 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016194 0.90 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL30376337 0.90 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016100 0.90 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL25193481 0.90 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL25597059 0.89 TEAD1 (0.67) 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 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