SCHEMBL2632922

SCHEMBL2632922

CNC(=O)Nc1ccnn1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
NTRK1 P04629 1/20 0.42
HPGDS O60760 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.39
CTSK P43235 1/20 0.38

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
SCHEMBL3268236 0.81 KMT2A (0.57) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL49946 0.81 KMT2A (0.57) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL15196077 0.81 KMT2A (0.57) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL2625561 0.81 KMT2A (0.57) KMT2APOLBHSP90AA1HSP90AB1NTRK1
SCHEMBL13235065 0.80 KMT2A (0.73) KMT2ASMN1; SMN2POLBRAB9ANPC1
SCHEMBL9523223 0.79 KMT2A (0.55) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL18410063 0.78 KMT2A (0.46) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL29128621 0.77 KMT2A (0.57) KMT2ASMN1; SMN2POLBHSP90AA1HSP90AB1
SCHEMBL13234478 0.77 KMT2A (1.00) KMT2ASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL12035264 0.76 KMT2A (0.53) KMT2APOLBHSP90AA1HSP90AB1RECQL

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
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed