SCHEMBL8422644

SCHEMBL8422644

c1ccc(NCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.69
LMNA P02545 4/20 0.69
HTT P42858 4/20 0.69
MAPK1 P28482 2/20 0.69
APP P05067 1/20 0.69
ABCG2 Q9UNQ0 2/20 0.65
DAPK3 O43293 1/20 0.65
MAP4K4 O95819 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
PIM1 P11309 1/20 0.65
PRKACA P17612 1/20 0.65
LTK P29376 1/20 0.65
MAPK8 P45983 1/20 0.65
CSNK1A1 P48729 1/20 0.65
RPS6KA3 P51812 1/20 0.65
LIMK1 P53667 1/20 0.65
MAP2K1 Q02750 1/20 0.65
ACVR1 Q04771 1/20 0.65
TYRO3 Q06418 1/20 0.65

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
SCHEMBL8497590 0.82 APP (1.00) EGFRLMNAHTTMAPK1APP
SCHEMBL1520577 0.81 LMNA (0.75) EGFRLMNAHTTMAPK1APP
SCHEMBL12199178 0.81 SMN1; SMN2 (0.77) EGFRLMNAHTTMAPK1APP
SCHEMBL29898477 0.81 LMNA (0.75) EGFRLMNAHTTMAPK1APP
SCHEMBL29898476 0.81 LMNA (0.75) EGFRLMNAHTTMAPK1APP
SCHEMBL13283188 0.80 L3MBTL1 (0.65) EGFRLMNAHTTMAPK1APP
SCHEMBL11260593 0.80 PIK3CD (0.71) EGFRLMNAHTTMAPK1APP
SCHEMBL8920 0.79 EGFR (1.00) EGFRHTTMAPK1ABCG2DAPK3
SCHEMBL29941271 0.79 EGFR (1.00) EGFRHTTMAPK1ABCG2DAPK3
SCHEMBL8483442 0.78 HTT (0.67) EGFRLMNAHTTMAPK1APP

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-0946549-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998027087-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed