SCHEMBL30895715

SCHEMBL30895715

COCNc1nn2ccc(Nc3cccn(-c4ccccn4)c3=O)nc2c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.48
▸ JAK1 P23458 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL29789055 0.77 TYK2 (0.61) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20688655 0.69 TYK2 (0.87) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL31021347 0.68 TYK2 (0.44) TYK2JAK1
SCHEMBL21948915 0.67 TYK2 (0.77) TYK2
SCHEMBL24263296 0.67 TYK2 (0.78) TYK2
SCHEMBL29754460 0.67 TYK2 (0.78) TYK2
SCHEMBL20689694 0.67 TYK2 (0.63) TYK2
SCHEMBL31218852 0.66 TYK2 (0.62) TYK2
SCHEMBL21285310 0.66 TYK2 (0.45) TYK2
SCHEMBL26532383 0.66 TYK2 (0.64) TYK2

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-118084920-A Five membered heteroaromatic pyrimidine-3-carboxamide derivatives, compositions and uses thereof 镇江圣安医药有限公司 2024-05-28 — — CN disclosed
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