SCHEMBL17530765

SCHEMBL17530765

Cc1nc(N)nc(NC(C)c2cc3cc(Cl)ccc3nc2N2CCN(C(=O)C3CC3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDE P14735 1/20 0.39
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 3/20 0.38
CNR2 P34972 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1B P49286 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
SOS1 Q07889 2/20 0.35
PIK3R2 O00459 1/20 0.35

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
SCHEMBL17530805 0.90 CLK1 (0.38) ALDH1A1MAPTSMN1; SMN2PIK3R2
SCHEMBL17530781 0.88 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL17530791 0.85 STK4 (0.40) ALDH1A1SOS1
SCHEMBL715265 0.85 MAPT (0.42) MAPTLMNAHTTTP53MAPK1
SCHEMBL715264 0.85 MAPT (0.42) MAPTLMNAHTTTP53MAPK1
SCHEMBL17530771 0.83 OPRK1 (0.40) KDM4ETP53CNR2
SCHEMBL17530823 0.83 OPRK1 (0.40) KDM4ETP53CNR2
SCHEMBL17530783 0.82 KDM4E (0.38) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL17530769 0.81 MAPT (0.45) ALDH1A1MAPTLMNAKDM4ETP53
SCHEMBL17530834 0.80 IDH1 (0.41) SOS1PIK3R2

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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed