SCHEMBL30367346

SCHEMBL30367346

CC(C)C(=O)N1CC=C(c2nc(-c3ccc([N+](=O)[O-])cc3)n3c(N)nccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.38
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TNK2 Q07912 1/20 0.33
SLC2A1 P11166 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
GRM1 Q13255 3/20 0.31
GRM5 P41594 2/20 0.31
HRH1 P35367 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
ATR Q13535 1/20 0.31
GRIA1 P42261 1/20 0.31
QDPR P09417 1/20 0.31

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
SCHEMBL30289618 0.78 TNK2 (0.48) NAMPTALDH1A1TNK2
SCHEMBL30289687 0.78 TNK2 (0.48) NAMPTALDH1A1TNK2
SCHEMBL30289735 0.74 BTK (0.45)
SCHEMBL30289785 0.73 BTK (0.46)
SCHEMBL30289664 0.71 TNK2 (0.48) ALDH1A1TNK2
SCHEMBL30289622 0.71 TNK2 (0.65) NAMPTTNK2GRM1GRM5ATR
SCHEMBL30289688 0.71 CDK9 (0.40) TNK2GRIA1
SCHEMBL30289733 0.70 TNK2 (0.46) NAMPTALDH1A1TNK2
SCHEMBL30367672 0.69 NAMPT (0.38) NAMPTALDH1A1LMNASLC2A1MAPT
SCHEMBL30367634 0.69 MAPT (0.41) ALDH1A1LMNAMAPTGAA

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-116437918-A Pyrazolopyridine compounds as TAM inhibitors 上海德琪医药科技有限公司 2023-07-14 CN disclosed
WO-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed