SCHEMBL19300034

SCHEMBL19300034

Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cnn(C4CC(C#N)C4)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.64
JAK1 P23458 8/20 0.64
TYK2 P29597 8/20 0.64
JAK3 P52333 4/20 0.47
RET P07949 12/20 0.44

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
SCHEMBL21872437 0.84 JAK1 (0.62) JAK2JAK1TYK2JAK3RET
SCHEMBL19299892 0.82 JAK1 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL22449691 0.82 JAK2 (0.71) JAK2JAK1TYK2JAK3
SCHEMBL20793958 0.80 JAK2 (0.78) JAK2JAK1TYK2JAK3RET
SCHEMBL19253407 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL19253409 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL19276457 0.76 JAK2 (0.64) JAK2JAK1TYK2JAK3RET
SCHEMBL20793959 0.73 JAK2 (0.84) JAK2JAK1TYK2JAK3
SCHEMBL21872233 0.71 TYK2 (0.55) JAK2JAK1TYK2JAK3
SCHEMBL19253538 0.71 JAK2 (0.47) JAK2JAK1TYK2JAK3RET

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
WO-2017144995-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER INC. (US) 2017-08-31 WO disclosed