SCHEMBL30663353

SCHEMBL30663353

c1ccc(-c2cn(-c3ccnc4[nH]ccc34)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.52
▸ IKBKB O14920 1/20 0.52
▸ CHUK O15111 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ RET P07949 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ LTK P29376 1/20 0.52
▸ GRK5 P34947 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ MAP2K2 P36507 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ CSNK1A1 P48729 1/20 0.52
▸ CDK8 P49336 1/20 0.52

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
SCHEMBL100468 1.00 JAK2 (0.52) JAK2IKBKBCHUKDAPK3PRKD3
SCHEMBL101287 0.84 CYP2D6 (0.44) CDK5ROCK1DYRK1ALRRK2CLK4
SCHEMBL29540736 0.84 CYP2D6 (0.44) CDK5ROCK1DYRK1ALRRK2CLK4
SCHEMBL100846 0.84 GRM5 (0.43) JAK2IKBKBCHUKDAPK3PRKD3
SCHEMBL29540698 0.84 GRM5 (0.43) JAK2IKBKBCHUKDAPK3PRKD3
SCHEMBL27762540 0.79 BRD4 (0.46) JAK2IKBKBCHUKDAPK3PRKD3
Trifluoroacetic Acid SCHEMBL4097362 0.78 SGK1 (0.40) JAK2IKBKBCHUKDAPK3PRKD3
Trifluoroacetic Acid SCHEMBL4082706 0.78 CYP2D6 (0.44) ROCK1PRKCIRAB9A
SCHEMBL29541300 0.77 PRKCI (0.56) JAK2IKBKBCHUKDAPK3PRKD3
SCHEMBL98619 0.77 PRKCI (0.56) JAK2IKBKBCHUKDAPK3PRKD3

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-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 — — EP disclosed
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