SCHEMBL13425541

SCHEMBL13425541

Cc1cccc(C)c1-c1cncc(NCc2cc(-c3ccccc3)[nH]n2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.51
BRAF P15056 11/20 0.51
KDR P35968 1/20 0.40
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TNIK Q9UKE5 1/20 0.37
PIM2 Q9P1W9 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36

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
SCHEMBL13426713 0.90 BRAF (0.49) FYNBRAFKDRPOLBRAB9A
SCHEMBL3433187 0.82 RAB9A (0.37) BRAFPOLBRAB9ATNIK
SCHEMBL13426106 0.81 FYN (0.46) FYNBRAFKDRPOLBRAB9A
SCHEMBL3433175 0.81 KCNH2 (0.47) FYNBRAFPIM2PIM1PIM3
SCHEMBL3399291 0.81 CYP1A2 (0.47) FYNBRAF
SCHEMBL13426028 0.80 AKT1 (0.39) FYNBRAFKDRPOLBRAB9A
SCHEMBL3392166 0.80 CYP1A2 (0.44) BRAFPOLBRAB9ATNIK
SCHEMBL3397300 0.79 EIF2AK2 (0.41) POLBRAB9ACLK2CLK3DYRK1A
SCHEMBL13426793 0.78 CYP1A2 (0.47) FYNBRAFKDR
SCHEMBL13426360 0.77 NOS2 (0.44) TNIK

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed