SCHEMBL4056288

SCHEMBL4056288

CC(Oc1ccc2nc(-c3csc4ccccc34)cn2n1)C1CCCNC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
PIM1 P11309 2/20 0.30
PIM3 Q86V86 2/20 0.30
PIM2 Q9P1W9 2/20 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
SCHEMBL4048774 0.79 PDE10A (0.38) PIM1PIM3PIM2
SCHEMBL4056283 0.71 PDE10A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3869789 0.71 KDR (0.32)
SCHEMBL3865962 0.68 MKNK1 (0.47) CCNT1CDK2CDK9PIM1
SCHEMBL3867554 0.68 MKNK1 (0.47)
SCHEMBL3867826 0.66 MKNK1 (0.45)
SCHEMBL3870154 0.66 MKNK1 (0.47) CCNT1CDK2CDK9PIM1
SCHEMBL3865528 0.66 MKNK1 (0.45) CCNT1CCNE1CDK2CDK7CDK9
SCHEMBL3871354 0.65 MKNK1 (0.39)
SCHEMBL3869840 0.64 MKNK1 (0.43)

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-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed