SCHEMBL22735893

SCHEMBL22735893

CCC(=O)Nc1c(-c2cnn(C(=O)N3CC(C#N)C3)c2)ccnc1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ CSF1R P07333 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.30
▸ CCNK O75909 1/20 0.30
▸ CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL22735888 0.71 LRRK2 (0.34) JAK1JAK3JAK2TYK2
SCHEMBL22735735 0.69 ATR (0.34) JAK1JAK2TYK2
SCHEMBL22736207 0.68 JAK1 (0.37) JAK1JAK3JAK2TYK2CCNT1
SCHEMBL22735884 0.67 BTK (0.42) JAK1JAK3JAK2TYK2CCNT1
SCHEMBL22735724 0.65 JAK1 (0.36) JAK1JAK2
SCHEMBL22735887 0.65 ALDH1A1 (0.34) —
SCHEMBL22736139 0.65 BTK (0.41) JAK1JAK2
SCHEMBL26789531 0.64 ALDH1A1 (0.51) —
SCHEMBL22716862 0.63 JAK2 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL26789772 0.59 SMN1; SMN2 (0.48) —

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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