SCHEMBL22471795

SCHEMBL22471795

Cc1nc(N)nc(Nc2cccc(N)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NOD1 Q9Y239 1/20 0.52
CDK4 P11802 1/20 0.49
CDK2 P24941 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
ABL1 P00519 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCR P11274 2/20 0.49
SRC P12931 2/20 0.49
POLB P06746 2/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
KDM4E B2RXH2 3/20 0.49

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
SCHEMBL13921827 0.92 SYK (0.56) SYKNPC1RAB9ANOD1CDK4
SCHEMBL12443883 0.92 SYK (0.56) SYKNPC1RAB9ANOD1CDK4
SCHEMBL31149857 0.88 MAPT (0.57) SYKNPC1RAB9ANOD1LMNA
SCHEMBL11582751 0.88 MAPT (0.57) SYKNPC1RAB9ANOD1LMNA
SCHEMBL23130650 0.88 MAPT (0.57) SYKNPC1RAB9ANOD1CDK4
SCHEMBL13421105 0.86 MAPT (0.55) SYKNPC1RAB9ANOD1LMNA
SCHEMBL796156 0.83 BCL6 (0.61) NPC1RAB9AMAPTGAAMEN1
SCHEMBL31302305 0.82 MEN1 (0.63) SYKCDK4CDK2LMNAMAPT
SCHEMBL11795454 0.82 MEN1 (0.63) SYKCDK4CDK2LMNAMAPT
SCHEMBL23130552 0.80 ALDH1A1 (0.55) SYKNPC1RAB9ANOD1CDK4

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-2020195819-A1 METHOD FOR MANUFACTURING OPTICAL FILM AND OPTICAL FILM コニカミノルタ株式会社 2020-10-01 WO disclosed