SCHEMBL18602116

SCHEMBL18602116

C=Cc1c(-n2cc(-c3ccsc3)c(C)n2)ccnc1NC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ ACVR2A P27037 1/20 0.30
▸ TGFBR1 P36897 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
SCHEMBL19062113 0.82 FYN (0.34) FYNCHEK2CYP2A6
SCHEMBL22930871 0.79 ACVR2A (0.31) ACVR2ATGFBR1
SCHEMBL18602127 0.77 — —
SCHEMBL20879745 0.73 — —
SCHEMBL29540476 0.73 PRKCI (0.44) —
SCHEMBL100026 0.73 PRKCI (0.44) —
SCHEMBL14517858 0.72 CCNE1 (0.34) FYNCYP2A6
SCHEMBL15072224 0.70 CYP2A6 (0.32) CYP2A6
SCHEMBL22930989 0.68 — —
SCHEMBL22930940 0.64 MAP4K4 (0.33) —

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
EP-2343299-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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