SCHEMBL2104470

SCHEMBL2104470

CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 3/20 0.63
TAS1R3 Q7RTX0 2/20 0.63
TAS1R1 Q7RTX1 2/20 0.63
P2RY1 P47900 2/20 0.63
ADORA1 P30542 2/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
SRC P12931 1/20 0.63
P2RY2 P41231 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
P2RY11 Q96G91 1/20 0.63

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
SCHEMBL31685271 0.93 ADORA1 (0.66) TAS1R3TAS1R1ADORA1
SCHEMBL26067680 0.91 DNPH1 (0.75) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL4307198 0.91 DNPH1 (0.75) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL30004415 0.91 DNPH1 (0.75) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL14358309 0.90 DNPH1 (0.74) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL4245973 0.88 DNPH1 (0.64) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL12799455 0.88 DNPH1 (0.64) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL23867092 0.87 P2RY1 (0.83) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL15498428 0.87 P2RY1 (0.83) DNPH1TAS1R3TAS1R1P2RY1ADORA1
SCHEMBL21067751 0.87 P2RY1 (0.83) DNPH1TAS1R3TAS1R1P2RY1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156521-A1 Gpr17 modulators,method of screening and uses thereof UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2009-06-18 US claimed
US-8158593-B2 GPR17 modulators, method of screening and uses thereof UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2012-04-17 US disclosed
US-20090156521-A1 Gpr17 modulators,method of screening and uses thereof UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2009-06-18 US disclosed