SCHEMBL8329276

SCHEMBL8329276

Cc1cnc(-n2cnnc2)nc1-n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2A6 P11509 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GBA1 P04062 1/20 0.31
ALOX5AP P20292 4/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL8330832 0.87 ADORA2A (0.38) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL18649540 0.75 CYP2A6 (0.38) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL3624702 0.65 ADORA2A (0.44) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL15955785 0.65 HSD17B10 (0.40) ADORA2AADORA1CYP2A6KDM4EALOX5AP
SCHEMBL8325387 0.62 ADORA2A (0.37) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL2628881 0.62 AXL (0.36) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL8671760 0.61 TDP1 (0.45) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL12301439 0.61 KDM4E (0.41) CYP2A6KDM4EPOLBLMNACYP1A2
SCHEMBL13140313 0.61 ADORA2A (0.41) ADORA2AADORA1CYP2A6KCNJ5KCNJ3
SCHEMBL14833461 0.61 CYP2A6 (0.38) ADORA2AADORA1CYP2A6KCNJ5KCNJ3

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