SCHEMBL30376337

SCHEMBL30376337

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.71
TEAD4 Q15561 1/20 0.71
TEAD2 Q15562 1/20 0.71
TEAD3 Q99594 1/20 0.71
P2RY14 Q15391 2/20 0.41
OPRD1 P41143 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
METAP2 P50579 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FLT3 P36888 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.37
ACSS2 Q9NR19 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
SCHEMBL25193481 1.00 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL30375620 0.92 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015683 0.92 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016563 0.92 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL24016194 0.91 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL30376339 0.91 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL30376195 0.91 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL24015901 0.91 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL25189431 0.91 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3P2RY14
SCHEMBL24015676 0.90 TEAD1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426700-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent GmbH (DE) 2024-09-11 EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed