SCHEMBL24257732

SCHEMBL24257732

Cc1c(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc(C#N)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
TNK2 Q07912 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MET P08581 3/20 0.44
RET P07949 2/20 0.43
GPR119 Q8TDV5 4/20 0.43
RIPK2 O43353 1/20 0.42
TTK P33981 2/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL30452665 1.00 CCNC (0.49) CCNCCDK8TNK2DDB1CRBN
SCHEMBL30453163 0.83 TNK2 (0.47) CCNCCDK8TNK2DDB1CRBN
SCHEMBL24257799 0.83 TNK2 (0.47) CCNCCDK8TNK2DDB1CRBN
SCHEMBL23322341 0.79 MET (0.53) CCNCCDK8TNK2DDB1CRBN
SCHEMBL24257737 0.77 IRAK4 (0.47) MET
SCHEMBL22719074 0.77 DDB1 (0.53) CCNCCDK8DDB1CRBNGPR119
SCHEMBL658408 0.77 MAP3K7 (0.49) CCNCCDK8TNK2MAP3K7TAB1
SCHEMBL17059346 0.76 EGFR (0.53) CCNCCDK8TNK2DDB1CRBN
SCHEMBL28657129 0.76 DDB1 (0.57) CCNCCDK8TNK2DDB1CRBN
SCHEMBL29249379 0.76 DDB1 (0.56) CCNCCDK8TNK2DDB1CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed