SCHEMBL25473240

SCHEMBL25473240

CNc1ncc2ccc(C#N)n2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
IRAK4 Q9NWZ3 13/20 0.33
TNF P01375 1/20 0.32
JAK2 O60674 2/20 0.32
INSR P06213 2/20 0.32
ALK Q9UM73 2/20 0.32
PTK2 Q05397 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10267138 0.78 EGLN2 (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL26017699 0.77 TGFBR1 (0.31)
SCHEMBL16542598 0.76 AR (0.32) IRAK4
SCHEMBL18078323 0.74 KDM4E (0.37) KDM4E
SCHEMBL26024444 0.74
SCHEMBL24198342 0.74 EGLN2 (0.36) GRM5
SCHEMBL34471810 0.65 ALDH1A1 (0.38) TNFKDM4EALDH1A1
SCHEMBL18048260 0.65 AR (0.33)
SCHEMBL3469449 0.63 EGLN2 (0.31)
SCHEMBL7455400 0.63 KDM4E (0.64) GRM5ADORA2AADORA1MAP4K4KDM4E

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
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed