SCHEMBL30657488

SCHEMBL30657488

c1cnc2c(c1)Cc1c-2ccc2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.36
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK10 P53779 3/20 0.35
CYP2A6 P11509 1/20 0.34
CYP3A4 P08684 4/20 0.34
CYP17A1 P05093 3/20 0.34
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL15412655 1.00 TNF (0.36) TNFCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL26658374 0.83 CYP3A4 (0.43) CYP2A6CYP3A4HTTKDM4EGMNN
SCHEMBL30180775 0.80 TNF (0.46) TNFCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL669865 0.80 TNF (0.46) TNFCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL16738368 0.79 TNF (0.45) TNFCYP11B1CYP11B2CLK1DYRK1A
Hydrochloric Acid SCHEMBL19358949 0.79 TNF (0.45) TNFCYP11B1CYP11B2MAPK10HTT
Bromide SCHEMBL16701359 0.79 TNF (0.45) TNFCYP11B1CYP11B2CLK1DYRK1A
Hydrochloric Acid SCHEMBL1307572 0.79 TNF (0.45) TNFCYP11B1CYP11B2MAPK10HTT
SCHEMBL5550507 0.79 TNF (0.45) TNFCYP11B1CYP11B2CLK1DYRK1A
SCHEMBL15413082 0.78 TNF (0.41) TNFCYP11B1CYP11B2CLK1DYRK1A

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-119497715-A Preparation and application of 7-aza-indeno isoquinoline 珀杜研究基金会 2025-02-21 CN disclosed
CN-119497715-A Preparation and application of 7-aza-indeno isoquinoline 珀杜研究基金会 2025-02-21 CN disclosed