Purine

Purine

SCHEMBL18011849

Cc1ccccc1.c1ncc2[nH]cnc2n1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EGFR P00533 1/20 0.38
CSF1R P07333 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
TSHR P16473 4/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 5/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Biphenyl SCHEMBL1292905 0.86 ATM (0.45) CDK2ADORA3ADORA2AADORA1METAP2
Purine SCHEMBL27783330 0.84 ALDH1A1 (0.41) ADORA3ADORA1EGFRHTTRAB9A
Purine SCHEMBL28164598 0.84 ALDH1A1 (0.44) CDK2METAP2METAP1HSD17B10LMNA
Purine SCHEMBL27278493 0.84 ALDH1A1 (0.44) CDK2METAP2METAP1HTTHSD17B10
Purine SCHEMBL3158 0.84
Purine SCHEMBL2120554 0.84 ALDH1A1 (0.47) CDK2METAP2METAP1HTTHSD17B10
Purine SCHEMBL6421380 0.84 ALDH1A1 (0.47) CDK2METAP2METAP1HTTHSD17B10
Purine SCHEMBL30862524 0.84
Purine SCHEMBL29365913 0.84
Purine SCHEMBL29703771 0.84 ALDH1A1 (0.47) CDK2METAP2METAP1HTTHSD17B10

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
US-9963357-B2 MoS2 foam Khalifa University of Science and Technology (AE) 2018-05-08 US disclosed
US-20160244335-A1 MoS2 Foam Khalifa University of Science and Technology (AE) 2016-08-25 US disclosed