SCHEMBL24015697

SCHEMBL24015697

Cc1nc2c(c3cc(C(=O)NCC(C)(C)O)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.48
TEAD4 Q15561 1/20 0.48
TEAD2 Q15562 1/20 0.48
TEAD3 Q99594 1/20 0.48
ACSS2 Q9NR19 2/20 0.38
RORC P51449 2/20 0.38
MAPK8 P45983 2/20 0.38
SCN9A Q15858 2/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
NAMPT P43490 2/20 0.35
CFTR P13569 1/20 0.35
CNR1 P21554 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL24015695 0.88 TEAD1 (0.49) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24016489 0.88 TEAD1 (0.48) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24016576 0.87 TEAD1 (0.53) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24015671 0.86 ALDH1A1 (0.52) TEAD1TEAD4TEAD2TEAD3RORC
SCHEMBL24016550 0.85 TEAD1 (0.47) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24016133 0.84 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL24016100 0.84 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24015672 0.83 TEAD1 (0.48) TEAD1TEAD4TEAD2TEAD3ACSS2
SCHEMBL24015694 0.83 TEAD1 (0.55) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL24016165 0.82 TEAD1 (0.44) TEAD1TEAD4TEAD2TEAD3ACSS2

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