SCHEMBL30289733

SCHEMBL30289733

Nc1nccc2c(C3=CCN(C(=O)C4(O)CC4)CC3)nc(-c3ccc(Oc4ccccc4)cc3)n12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.46
BTK Q06187 6/20 0.40
NAMPT P43490 1/20 0.38
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL30289600 0.93 TNK2 (0.45) TNK2BTKALDH1A1SMN1; SMN2
SCHEMBL30289664 0.87 TNK2 (0.48) TNK2BTKCCNT1CDK9ALDH1A1
SCHEMBL30289618 0.85 TNK2 (0.48) TNK2BTKNAMPTALDH1A1SMN1; SMN2
SCHEMBL30289687 0.85 TNK2 (0.48) TNK2BTKNAMPTALDH1A1SMN1; SMN2
SCHEMBL30289622 0.85 TNK2 (0.65) TNK2BTKNAMPT
SCHEMBL30289644 0.80 BTK (0.47) TNK2BTK
SCHEMBL30289688 0.79 CDK9 (0.40) TNK2BTKCCNT1CDK9
SCHEMBL30289619 0.78 CDK9 (0.41) TNK2BTKCCNT1CDK9
SCHEMBL30289683 0.78 TNK2 (0.38) TNK2BTK
SCHEMBL30289594 0.77 TNK2 (0.39) TNK2BTKALDH1A1

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed