SCHEMBL12495503

SCHEMBL12495503

N#CCn1cc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 2/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ ATR Q13535 3/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ FGFR2 P21802 3/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ MAPKAPK2 P49137 3/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP11 Q9NR21 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL18936954 0.84 FGFR1 (0.48) MAPK1FGFR1FGFR2FGFR3MAPKAPK2
SCHEMBL12495603 0.82 MAPK1 (0.48) MAPK1ATRMAPKAPK2PARP10PARP11
SCHEMBL12495496 0.81 MAPK1 (0.44) MAPK1ATRMAPKAPK2MAPK9PARP10
SCHEMBL18937020 0.79 MAPK1 (0.45) MAPK1ATRMAPKAPK2MAPK9PARP10
SCHEMBL27946388 0.79 MAPK1 (0.49) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL12077344 0.77 MAPK1 (0.44) MAPK1ATRMAPKAPK2MAPK9PARP10
SCHEMBL12077111 0.77 MAPK1 (0.44) MAPK1ATRMAPKAPK2MAPK9PARP10
SCHEMBL12077536 0.76 MAP4K4 (0.45) MAPK1MAPKAPK2MAPK9PARP10PARP11
SCHEMBL12495198 0.76 MAPK1 (0.47) MAPK1ATRMAPKAPK2MAPK9PARP10
SCHEMBL12495613 0.75 MAPK1 (0.48) MAPK1MAPKAPK2MAPK9PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
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