SCHEMBL29080908

SCHEMBL29080908

COC(=O)c1cc2c(cn1)COC2(C)C(F)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
MAPK1 P28482 2/20 0.35
LCK P06239 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33

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
SCHEMBL29080910 0.86 RIPK1 (0.46) RIPK1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18366144 0.82 RIPK1 (0.46) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL30587492 0.82 RIPK1 (0.46) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL30015041 0.80 RIPK1 (0.63) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL18366136 0.80 RIPK1 (0.63) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL18367362 0.79 RIPK1 (0.42) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL30092704 0.79 RIPK1 (0.50) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL18366444 0.79 RIPK1 (0.50) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL30587469 0.79 RIPK1 (0.42) RIPK1MAPK1LCKALDH1A1HPGD
SCHEMBL18372660 0.79 RIPK1 (0.50) RIPK1MAPK1LCKALDH1A1HPGD

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-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed