SCHEMBL13985290

SCHEMBL13985290

C/C(=N\N)c1ccc(NC(=O)Nc2ccc(/C(C)=N/N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.56
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ MAPT P10636 6/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TAAR1 Q96RJ0 2/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ NLRP1 Q9C000 1/20 0.53
▸ FAAH O00519 5/20 0.49
▸ MGLL Q99685 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL13985287 0.91 KMT2A (0.56) CA12CA1CA2CA9MAPT
SCHEMBL203521 0.89 SMN1; SMN2 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL30570218 0.80 FURIN (0.70) CA12CA1CA2CA9MAPT
SCHEMBL13941446 0.80 FAAH (0.52) MAPTKMT2AMEN1FAAHMGLL
SCHEMBL3633396 0.77 NPC1 (0.84) CA12CA1CA2CA9MAPT
SCHEMBL31054222 0.77 NPC1 (0.69) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL13431057 0.76 PLK4 (0.57) FAAHMGLLLMNA
SCHEMBL13160507 0.76 PLK4 (0.57) FAAHMGLLLMNA
SCHEMBL13941402 0.76 PLK4 (0.57) FAAHMGLLLMNA
SCHEMBL13941618 0.75 FAAH (0.48) MAPTKMT2AMEN1FAAHMGLL

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-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO disclosed
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