SCHEMBL28293472

SCHEMBL28293472

Cn1cnc2cnc(Cc3ccccc3F)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.41
GRM5 P41594 1/20 0.40
PDE5A O76074 3/20 0.39
PDE4A P27815 3/20 0.39
PDE1A P54750 3/20 0.39
PDE1B Q01064 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PDE1C Q14123 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38

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
SCHEMBL10233676 0.74 GRM5 (0.38) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL2437697 0.70 HTR6 (0.43) HTR2CHTR2BHTR6PDE5APDE4A
SCHEMBL9485705 0.69 NPC1 (0.49) HTR2CHTR2BHTR6SMN1; SMN2NPC1
SCHEMBL19922957 0.69 CDK1 (0.48) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL30450665 0.69 CDK1 (0.48) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL10442246 0.69 HTR2C (0.50) HTR2CHTR2BHTR6SMN1; SMN2NPC1
SCHEMBL31068637 0.68 CYP1A2 (0.66) ALDH1A1HPGDHSD17B10LMNAMEN1
SCHEMBL30298001 0.68 HTR6 (0.50) HTR2CHTR2BHTR6SMN1; SMN2NPC1
SCHEMBL19922741 0.67 CTSS (0.44) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL30450440 0.67 CTSS (0.44) PDE5APDE4APDE1APDE1BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790167-A SGC stimulators 艾恩伍德医药品股份有限公司 2019-05-21 CN disclosed