SCHEMBL456965

SCHEMBL456965

Cc1c(C(N)=O)ccc(-c2cnc3c(NCC(C)(C)N)cc(Cl)nn23)c1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.40
TTK P33981 7/20 0.36
KIT P10721 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
CDK7 P50613 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIM3 Q86V86 1/20 0.36
HASPIN Q8TF76 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL12467108 0.90 TTK (0.36) TTKKITPIM1FLT3CDK7
SCHEMBL457970 0.88 TTK (0.44) ERN1TTK
SCHEMBL461988 0.81 TTK (0.40) TTK
SCHEMBL457467 0.77 TTK (0.40) TTK
SCHEMBL456371 0.76 TTK (0.46) ERN1TTK
SCHEMBL12466791 0.76 ERN1 (0.43) ERN1TTK
SCHEMBL459378 0.76 TTK (0.57) ERN1TTK
SCHEMBL463285 0.76 PDE4D (0.43) TTKFLT3
SCHEMBL462359 0.75 TTK (0.42) TTK
SCHEMBL456964 0.72 TTK (0.36) ERN1TTK

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