SCHEMBL4442906

SCHEMBL4442906

Clc1cccc2nc(-c3ccccn3)c(CCNc3ncnc4[nH]cnc34)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
JAK2 O60674 1/20 0.40
PPP1CA P62136 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 6/20 0.39
LMNA P02545 5/20 0.39
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
METAP2 P50579 1/20 0.37
EGFR P00533 1/20 0.36
APP P05067 1/20 0.36
HIF1A Q16665 1/20 0.35
SYK P43405 1/20 0.35
BTK Q06187 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL4443536 0.87 PIK3CD (0.42) METAP1L3MBTL1KMT2AHTTLMNA
SCHEMBL16799174 0.83 PIK3CG (0.41) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL4437114 0.83 MAP4K4 (0.41) JAK2KMT2AHTTLMNAMAPK1
SCHEMBL17240937 0.81 PIK3CG (0.52) METAP1L3MBTL1HTTLMNAMAPK1
Water SCHEMBL17240976 0.80 PIK3CG (0.51) METAP1L3MBTL1HTTLMNAMAPK1
SCHEMBL4175693 0.79 LMNA (0.42) HTTLMNAMAPK1EGFRHIF1A
SCHEMBL4167683 0.79 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL247287 0.78 HTT (0.41) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL4436542 0.78 MAPK1 (0.39) METAP1L3MBTL1KMT2AHTTLMNA
SCHEMBL4181317 0.78 PIK3CD (0.43) HTTLMNAHIF1ASYKPIK3CD

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed