SCHEMBL25992229

SCHEMBL25992229

CCSC1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.39
▸ CNR2 P34972 4/20 0.38
▸ KLKB1 P03952 1/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CSF1R P07333 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ PLK3 Q9H4B4 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL25991776 0.92 CNR2 (0.39) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991409 0.92 KLKB1 (0.39) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25347102 0.91 AKR1B1 (0.37) AKR1B1CNR2KCNH2ROS1ALK
SCHEMBL25991844 0.91 CNR2 (0.37) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991673 0.91 AKR1B1 (0.38) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991922 0.90 ROS1 (0.37) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991704 0.90 AKR1B1 (0.37) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25992264 0.90 ROS1 (0.38) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991692 0.90 AKR1B1 (0.37) AKR1B1CNR2KLKB1KLK1KCNH2
SCHEMBL25991878 0.90 AKR1B1 (0.37) AKR1B1CNR2KLKB1KLK1KCNH2

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-2023154905-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-08-17 — — WO disclosed
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