SCHEMBL18599971

SCHEMBL18599971

Cc1nn(-c2ccnc3c2CCN3)cc1-c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.34
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ FYN P06241 4/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL8738327 0.76 NNMT (0.35) —
SCHEMBL19062204 0.76 CHEK1 (0.38) CDK2
SCHEMBL29540476 0.74 PRKCI (0.44) LRRK2FLT1KDR
SCHEMBL15072224 0.73 CYP2A6 (0.32) CYP2A6HRH4FLT1FLT4KDR
SCHEMBL14517858 0.70 CCNE1 (0.34) CYP2A6FYNFLT1FLT4KDR
SCHEMBL18602116 0.70 FYN (0.32) CYP2A6FYN
SCHEMBL21974392 0.69 MAPT (0.41) —
SCHEMBL19062113 0.69 FYN (0.34) CYP2A6FYN
SCHEMBL12506757 0.64 ROCK2 (0.30) —
SCHEMBL31599929 0.63 ROCK2 (0.46) HRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 — — EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 — — EP disclosed
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