SCHEMBL458023

SCHEMBL458023

OCCNc1cc(Br)nn2c(I)cnc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL456244 0.83 TTK (0.33) —
SCHEMBL17425400 0.74 ERN1 (0.40) —
SCHEMBL457166 0.74 TTK (0.42) —
SCHEMBL457469 0.72 ABL1 (0.30) —
SCHEMBL456366 0.67 ERN1 (0.34) —
SCHEMBL470056 0.66 KDM4E (0.31) KDM4EALDH1A1POLB
SCHEMBL455120 0.65 TTK (0.36) —
SCHEMBL2942562 0.64 MKNK1 (0.61) —
SCHEMBL104696 0.63 TTK (0.36) POLBMEN1KMT2A
SCHEMBL458996 0.62 ERN1 (0.36) FLT3

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 5 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
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 — — WO disclosed
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