SCHEMBL456964

SCHEMBL456964

Cc1cc(C2(c3cnc4c(NCC(C)(C)N)cc(Cl)nn34)CC2)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.36
SYK P43405 1/20 0.33
MAPK8 P45983 1/20 0.33
ERN1 O75460 5/20 0.32
TYK2 P29597 1/20 0.31
PDE4B Q07343 1/20 0.31
CCR1 P32246 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL12467105 0.90 MAPK8 (0.36) TTKSYKMAPK8TYK2
SCHEMBL457969 0.88 TTK (0.45) TTK
SCHEMBL457466 0.77 TTK (0.41) TTK
SCHEMBL12466787 0.75 ERN1 (0.39) TTKSYKERN1TYK2
SCHEMBL456965 0.72 ERN1 (0.40) TTKERN1
SCHEMBL459378 0.71 TTK (0.57) TTKERN1
SCHEMBL469904 0.70 TTK (0.55) TTK
SCHEMBL456370 0.68 TTK (0.41) TTK
SCHEMBL458996 0.68 ERN1 (0.36) ERN1
SCHEMBL17560053 0.67 TTK (0.42) TTKSYKMAPK8TYK2PDE4B

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-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed