SCHEMBL4789063

SCHEMBL4789063

O=S(=O)(NCCN1CCCC1)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.55
PDGFRB P09619 4/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SYK P43405 1/20 0.49
SIGMAR1 Q99720 6/20 0.49
NEK1 Q96PY6 1/20 0.48
YES1 P07947 1/20 0.48
EPHB4 P54760 1/20 0.48
ABL1 P00519 1/20 0.47

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
SCHEMBL263327 0.90 AURKA (0.54) SRCPDGFRBSIGMAR1NEK1YES1
SCHEMBL266294 0.87 MEN1 (0.57) SRCPDGFRBMEN1NPC1LMNA
SCHEMBL264216 0.85 SRC (0.54) SRCPDGFRBSIGMAR1NEK1YES1
SCHEMBL266847 0.85 SYK (0.55) SRCPDGFRBSYKYES1EPHB4
SCHEMBL267040 0.85 EGFR (0.58) SRCPDGFRBSYKYES1EPHB4
Trifluoroacetic Acid SCHEMBL264883 0.83 FAM20C (0.49) SRCPDGFRBMEN1NPC1LMNA
SCHEMBL267069 0.82 SYK (0.49) SRCPDGFRBSYKYES1EPHB4
Trifluoroacetic Acid SCHEMBL267068 0.81 SYK (0.50) SRCPDGFRBMAPK1SYKYES1
Trifluoroacetic Acid SCHEMBL265082 0.81 EGFR (0.50) SRCPDGFRBSYKYES1EPHB4
SCHEMBL3520398 0.80 JAK2 (0.57) NEK1ABL1

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-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed