SCHEMBL22239518

SCHEMBL22239518

CN/C=C(\C=N)c1nc(Nc2cc(C)ccn2)cc(C2CCCN(C(=O)CC#N)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 19/20 0.57
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 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
SCHEMBL16220150 0.88 MAP3K12 (0.66) MAP3K12
SCHEMBL22239571 0.85 MAP3K12 (0.72) MAP3K12
SCHEMBL16220160 0.84 MAP3K12 (0.66) MAP3K12
SCHEMBL16220303 0.84 MAP3K12 (0.62) MAP3K12JAK2JAK3
SCHEMBL16220155 0.81 MAP3K12 (0.66) MAP3K12
SCHEMBL16220060 0.78 MAP3K12 (0.61) MAP3K12JAK2JAK3
SCHEMBL16220481 0.77 MAP3K12 (0.52) MAP3K12
SCHEMBL22239533 0.76 MAP3K12 (0.57) MAP3K12
SCHEMBL16220153 0.76 MAP3K12 (0.52) MAP3K12
SCHEMBL16220028 0.74 MAP3K12 (0.78) MAP3K12

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
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 — — EP disclosed
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