SCHEMBL21947283

SCHEMBL21947283

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@H]4C[C@@H](OC)C4)c4ncccc34)nc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.53
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL21961740 0.94 TYK2 (0.46) TYK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL21947279 0.93 TYK2 (0.51) TYK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL21960683 0.93 TYK2 (0.54) TYK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL20689035 0.92 TYK2 (0.49) TYK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL21227479 0.89 TYK2 (0.52) TYK2
SCHEMBL20688015 0.88 TYK2 (0.54) TYK2
SCHEMBL20688012 0.88 TYK2 (0.54) TYK2
SCHEMBL20697201 0.88 TYK2 (0.43) TYK2
SCHEMBL20687999 0.88 TYK2 (0.54) TYK2
SCHEMBL21963459 0.87 TYK2 (0.51) TYK2KDM4ENPC1ALDH1A1HPGD

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-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO disclosed
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