SCHEMBL13655439

SCHEMBL13655439

Cc1nc(-c2ccccc2)nc2[nH]ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
POLB P06746 1/20 0.63
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
JAK2 O60674 2/20 0.44
CDK8 P49336 2/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL8366781 0.85 RAB9A (0.47) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL2231632 0.79 ADORA1 (0.51) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL7749921 0.79 ADORA1 (0.55) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL14274543 0.79 ADORA1 (0.51) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL22587420 0.76 ACP1 (0.64) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL22587412 0.76 ABCG2 (0.62) KMT2ASMN1; SMN2ALDH1A1POLBADORA1
SCHEMBL9983000 0.75 SGK1 (0.55) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL5134352 0.74 ADORA2A (0.44) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL6530422 0.72 ADORA1 (0.47) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA
SCHEMBL6529073 0.72 ADORA1 (0.45) KMT2ARAB9ASMN1; SMN2ALDH1A1GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 EP disclosed
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed