SCHEMBL4464376

SCHEMBL4464376

NC1=NC(N)(Cc2cc(-c3ccccn3)no2)NC=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
IGF1R P08069 5/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
NOTUM Q6P988 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
TDO2 P48775 1/20 0.32
METAP2 P50579 1/20 0.31

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
SCHEMBL4460763 0.84 NOTUM (0.50) NOTUMLMNACYP1A2POLBMPO
SCHEMBL4464611 0.75 SMN1; SMN2 (0.47) CA12CA9IGF1RLMNACYP1A2
SCHEMBL2120922 0.71 NOTUM (0.62) CA12CA9IGF1RFGFR1KDR
SCHEMBL31434715 0.68 NOTUM (0.62) CA12CA9NOTUMKDM4ELMNA
SCHEMBL1314692 0.68 NOTUM (0.62) CA12CA9NOTUMKDM4ELMNA
SCHEMBL9901587 0.68 CA12 (0.49) CA12CA9IGF1RFGFR1KDR
SCHEMBL8938531 0.68 CA12 (0.49) CA12CA9NOTUMKDM4ELMNA
SCHEMBL26527466 0.68 CA12 (0.49) CA12CA9IGF1RFGFR1KDR
SCHEMBL28941884 0.67 CA12 (0.46) CA12CA9IGF1RFGFR1KDR
SCHEMBL4465981 0.67 NOTUM (0.49) NOTUMLMNACYP1A2POLBMPO

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed