SCHEMBL31329048

SCHEMBL31329048

CC(C)(C)OC(=O)N1CC=C(c2ccc(I)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
CYP11B2 P19099 1/20 0.52
GRM1 Q13255 11/20 0.50
GRM5 P41594 11/20 0.50
PDK4 Q16654 1/20 0.50
BTK Q06187 1/20 0.49
ATR Q13535 1/20 0.47
CDK7 P50613 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
CDK9 P50750 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL31329138 1.00 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL15095872 0.87 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29840385 0.87 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29891644 0.87 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29840400 0.87 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL23306173 0.87 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29803742 0.86 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL12558047 0.86 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL31131421 0.86 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL2882626 0.86 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4

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
WO-2025007863-A1 1H-PYRAZOLO[4,3-C]PYRIDINE COMPOUND, AND COMPOSITION THEREOF AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-09 WO disclosed
CN-119241532-A 1H-pyrazolo [4,3-c ] pyridine compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2025-01-03 CN disclosed