SCHEMBL6844663

SCHEMBL6844663

Cc1ncc2c(n1)N1CCCC1C(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 2/20 0.37
TAF1 P21675 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 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
SCHEMBL2340384 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2340390 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL29755289 0.82 BRD4 (0.39) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2050140 0.82 BRD4 (0.40) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2050138 0.82 BRD4 (0.40) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL6840372 0.81 BRD4 (0.39) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2027438 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2027436 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL2052918 0.78 MEN1 (0.36) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL2052915 0.78 MEN1 (0.36) KMT2AMEN1PSEN1PSEN2APH1B

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed