SCHEMBL29546603

SCHEMBL29546603

COc1cccc(-c2ccc3c(c2)CCNC(=O)N3)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.54
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
TNIK Q9UKE5 1/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHEK1 O14757 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
CD274 Q9NZQ7 1/20 0.46
GRM5 P41594 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
FGFR1 P11362 1/20 0.43
BRD4 O60885 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL20956992 0.86 TNIK (0.56) PGRTNIKCYP11B1CYP11B2CYP1A2
SCHEMBL24314993 0.83 CYP1A2 (0.70) PGRPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8154135 0.79 PARP10 (0.69) PGRCHEK1MAPKAPK2CD274GRM5
SCHEMBL5999174 0.76 PDE3B (0.59) PDE3BPDE3AGRM5
SCHEMBL1883042 0.76 CYP11B1 (0.76) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL4889182 0.72 KIF11 (0.70) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL31083671 0.71 CD274 (0.81) CD274NISCH
SCHEMBL25405671 0.71 CD274 (0.81) CD274NISCH
SCHEMBL4406856 0.70 CRBN (0.57) PGRPDE3BPDE3ACHEK1BRD4
SCHEMBL5225707 0.70 PGR (1.00) PGRPDE3BPDE3ACHEK1BRD4

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-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO disclosed