SCHEMBL20792818

SCHEMBL20792818

Cc1cnc(Nc2cc(C)c(F)c(C)c2)nc1Nc1ccc2oc(=O)n(CO)c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.55
▸ JAK3 P52333 20/20 0.55
▸ JAK2 O60674 10/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ CYP3A4 P08684 7/20 0.48
▸ SYK P43405 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
SCHEMBL346388 0.87 JAK1 (0.52) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29752260 0.87 JAK1 (0.58) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL17236302 0.84 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29609671 0.83 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL19975657 0.83 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL524757 0.83 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL341705 0.83 JAK1 (0.49) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL2990449 0.83 JAK1 (0.61) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL341026 0.82 JAK1 (0.59) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL525125 0.82 JAK1 (0.59) JAK1JAK3JAK2CYP1A2TYK2

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-2019040706-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VITILIGO ACLARIS THERAPEUTICS, INC. (US) 2019-02-28 — — WO disclosed
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