SCHEMBL9983000

SCHEMBL9983000

Cc1nc(-c2ccccc2)nc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 8/20 0.55
ADORA3 P0DMS8 4/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 1/20 0.52
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
METAP2 P50579 1/20 0.43

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
SCHEMBL3174451 0.80 ADORA3 (0.48) ADORA3ADORA2AADORA1KMT2APOLB
SCHEMBL5786452 0.80 ADORA3 (0.46) SGK1ADORA3ADORA2AADORA1RAB9A
SCHEMBL13655439 0.75 KMT2A (0.63) ADORA3ADORA2AADORA1RAB9AKMT2A
SCHEMBL7888421 0.72 CHEK1 (0.40) SGK1SMN1; SMN2ALDH1A1HTTXDH
SCHEMBL3762000 0.72 HPGDS (0.47) ADORA3ADORA2AADORA1RAB9AKMT2A
SCHEMBL422358 0.71 PDE10A (0.61) RAB9AKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10083704 0.69 L3MBTL1 (0.62) ADORA3ADORA2AADORA1RAB9AKMT2A
SCHEMBL14570604 0.69 ADORA2A (0.47) SGK1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL61883 0.69 PLK4 (0.53) SGK1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL19169418 0.68 PDE10A (0.60) RAB9AKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed