SCHEMBL24015671

SCHEMBL24015671

Cc1nc2c(c3cc(C(=O)NCc4ccncc4)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TEAD1 P28347 1/20 0.47
TEAD4 Q15561 1/20 0.47
TEAD2 Q15562 1/20 0.47
TEAD3 Q99594 1/20 0.47
ROCK2 O75116 3/20 0.46
RORC P51449 2/20 0.46
GRK2 P25098 2/20 0.46
SORT1 Q99523 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PPARG P37231 1/20 0.42
NAMPT P43490 1/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL24016565 0.91 MEN1 (0.55) ALDH1A1LMNATEAD1TEAD4TEAD2
SCHEMBL24016615 0.90 ROCK2 (0.48) ALDH1A1LMNAROCK2MEN1KMT2A
SCHEMBL24016561 0.89 TEAD1 (0.44) ALDH1A1LMNATEAD1TEAD4TEAD2
SCHEMBL24015695 0.87 TEAD1 (0.49) TEAD1TEAD4TEAD2TEAD3RORC
SCHEMBL24016533 0.87 TEAD1 (0.45) ALDH1A1LMNATEAD1TEAD4TEAD2
SCHEMBL24016023 0.87 PPARG (0.53) ALDH1A1LMNATEAD1TEAD4TEAD2
SCHEMBL24015697 0.86 TEAD1 (0.48) ALDH1A1TEAD1TEAD4TEAD2TEAD3
SCHEMBL24016489 0.86 TEAD1 (0.48) TEAD1TEAD4TEAD2TEAD3
SCHEMBL24016576 0.85 TEAD1 (0.53) TEAD1TEAD4TEAD2TEAD3RORC
SCHEMBL24016304 0.85 ALDH1A1 (0.50) ALDH1A1LMNATEAD1TEAD4TEAD2

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