SCHEMBL31612675

SCHEMBL31612675

C=CC(=O)N1CCn2nc(-c3ccc(C(F)(F)F)cc3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 8/20 0.42
BTK Q06187 2/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
SLC6A7 Q99884 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LIPE Q05469 1/20 0.38
STAT3 P40763 1/20 0.37
GSTO1 P78417 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMO Q99835 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL31612662 0.84 GRM5 (0.39) TEAD1STAT3MEN1HPGDKMT2A
SCHEMBL31612666 0.84 TEAD1 (0.35) TEAD1DPP4DPP7DPP8EGFR
SCHEMBL31612680 0.81 HDAC4 (0.48) DPP4DPP7DPP8BCHEACHE
SCHEMBL31612673 0.77 DPP4 (0.48) TEAD1DPP4DPP7DPP8ACHE
SCHEMBL31612668 0.77 P2RX7 (0.50) TEAD1BTKEGFRITKGSTO1
SCHEMBL27042576 0.73 DPP4 (0.44) TEAD1BTKDPP4EGFRITK
SCHEMBL27042492 0.73 MAPK1 (0.42) TEAD1BTKDPP4DPP7EGFR
SCHEMBL26644904 0.73 CSNK1E (0.44) TEAD1BTKDPP4EGFRITK
SCHEMBL31022122 0.71 ESR1 (0.48) TEAD1BTKMEN1KMT2A
SCHEMBL27042771 0.70 ABHD6 (0.46) TEAD1BTKDPP7EGFR

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
CN-120118087-A Preparation and application of PARP7 inhibitor 药雅科技(上海)有限公司 2025-06-10 CN disclosed