SCHEMBL470065

SCHEMBL470065

Cc1cc(-c2cnc3c(NCCN4CCOCC4)cc(Br)nn23)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.49
HSP90AA1 P07900 2/20 0.43
FYN P06241 2/20 0.43
AR P10275 1/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL459405 0.91 TTK (0.50) TTKFYNLCKKITKDR
SCHEMBL470339 0.90 TTK (0.49) TTKFYN
SCHEMBL10279112 0.89 TTK (0.61) TTKLCKKITKDRMAPK9
SCHEMBL469974 0.85 TTK (0.64) TTKFYN
SCHEMBL470099 0.85 TTK (0.53) TTKHSP90AA1FYN
SCHEMBL17590099 0.85 TTK (0.53) TTK
SCHEMBL470204 0.83 TTK (0.55) TTKFYN
SCHEMBL470067 0.83 TTK (0.55) TTKFYN
SCHEMBL17590113 0.83 TTK (0.47) TTKHSP90AA1FYN
SCHEMBL469970 0.82 TTK (0.50) TTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed