SCHEMBL30499529

SCHEMBL30499529

COc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)n3c(N)nccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
PSD A5PKW4 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL30367634 0.74 MAPT (0.41) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL14880488 0.70 KCNJ1 (0.63) KMT2AMEN1LMNAHTTCRHBP
SCHEMBL1304880 0.68 MAPT (0.52) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL30366987 0.67 KMT2A (0.53) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL30367508 0.67 LMNA (0.42) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL3974325 0.66 APP (0.74) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL2455303 0.66 APP (0.74) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL18449581 0.65 APP (0.60) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL10019306 0.65 MAPT (0.50) KMT2AMEN1PIK3CAPIK3CBPIK3CG
SCHEMBL30367576 0.65 ROCK1 (0.62) KMT2AMEN1LMNAHTTMAPT

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-116437918-A Pyrazolopyridine compounds as TAM inhibitors 上海德琪医药科技有限公司 2023-07-14 CN disclosed