SCHEMBL9982855

SCHEMBL9982855

C1=C(n2ncc3cncnc32)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL30592258 0.69 PIM1 (0.41) PIM1PIM3PIM2KDM4E
SCHEMBL29861473 0.65 SOS1 (0.47) HRH3
SCHEMBL3761998 0.64 KDM4E (0.62) KDM4E
SCHEMBL30095774 0.64 KDM4E (0.62) KDM4E
SCHEMBL9982816 0.64 KDM4E (0.49) KDM4E
SCHEMBL9982976 0.64 MEN1 (0.34) PIM1PIM3PIM2KDM4E
SCHEMBL4185095 0.63 ALDH1A1 (0.41)
SCHEMBL30812587 0.63 KDM4E (0.34) KDM4E
SCHEMBL594726 0.62 MEN1 (0.45) KDM4E
SCHEMBL10447432 0.62 RAB9A (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed