SCHEMBL8330832

SCHEMBL8330832

Cc1cnc(-n2cncn2)nc1-n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2A6 P11509 1/20 0.35
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GBA1 P04062 1/20 0.33
ALOX5AP P20292 5/20 0.33
PDE4A P27815 3/20 0.32
PDE4B Q07343 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL8329276 0.87 ADORA2A (0.35) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL18649540 0.77 CYP2A6 (0.38) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL15955785 0.76 HSD17B10 (0.40) ADORA2AADORA1CYP2A6KDM4ELMNA
SCHEMBL3624702 0.70 ADORA2A (0.44) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL22325535 0.68 CYP2A6 (0.40) CYP2A6KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2898324 0.68 CYP2A6 (0.40) CYP2A6KDM4EPDE10ACYP1A2CYP2D6
SCHEMBL28333293 0.68 HTR3A (0.46) CYP2A6KDM4EPDE10ACYP1A2LMNA
SCHEMBL8325387 0.67 ADORA2A (0.37) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL13140313 0.66 ADORA2A (0.41) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL10759266 0.65 CYP2A6 (0.48) CYP2A6KDM4EPDE10ACYP1A2CYP2D6

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
EP-0544210-B1 Process for the preparation of in position 5 substituted cytosines and of other 4,5-disubstituted pyrimidin-2(1H)-ones, also the forth-issuing intermediates HOECHST AG (DE) 1999-11-03 EP disclosed
US-5359067-A Process for the preparation of 5-substituted cytosines and other 4,5-disubstituted pyrimidin-2(1H)-ones, and intermediates arising in the course of this HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-25 US disclosed
EP-0544210-A1 Process for the preparation of in position 5 substituted cytosines and of other 4,5-disubstituted pyrimidin-2(1H)-ones, also the forth-issuing intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-02 EP disclosed