SCHEMBL4068517

SCHEMBL4068517

CC(C)CCSc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCR2 P25025 1/20 0.31
CCR7 P32248 1/20 0.31

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
SCHEMBL3962781 0.86 RAB9A (0.43) ALDH1A1CDK1CCNB1CCNA2CDK2
SCHEMBL29386248 0.84 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL3960621 0.82 SMN1; SMN2 (0.45) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL4408534 0.81 HSP90AA1 (0.39) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL5144923 0.81 KDM4E (0.47) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL27157678 0.80 KDM4E (0.49) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL4058424 0.80 CDK1 (0.38) ALDH1A1CDK1CCNB1CCNA2CDK2
SCHEMBL756296 0.78 HASPIN (0.33) ALDH1A1KDM4ECDK1CCNB1CCNA2
SCHEMBL28387243 0.78 KDR (0.32) KDRAURKB
SCHEMBL24980489 0.77 APEX1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APOLB

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed