SCHEMBL10077016

SCHEMBL10077016

C=Cc1cnc2cnccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
HPGDS O60760 1/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 1/20 0.35
MAPK10 P53779 3/20 0.34
IMPDH2 P12268 2/20 0.34
CYP2A6 P11509 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1924038 0.81 CYP2A6 (0.42) PDGFRBPDGFRAHPGDSRAB9AMAPK10
SCHEMBL486937 0.77 PDGFRB (0.65) PDGFRBPDGFRAPARP1RAB9ACYP2A6
SCHEMBL31441068 0.77 PDGFRB (0.65) PDGFRBPDGFRAPARP1RAB9ACYP2A6
SCHEMBL28251009 0.74 PDGFRB (0.36) PDGFRBPDGFRAHPGDSMAPK10CYP2A6
SCHEMBL1519758 0.73 CYP3A4 (0.49) IMPDH2
SCHEMBL13397489 0.73 PRKCZ (0.46) IMPDH2CSNK1DCSNK1ECLK1DYRK1A
SCHEMBL3367827 0.73 EGFR (0.49) PDGFRBPDGFRAPARP1RAB9ADYRK1A
SCHEMBL7938841 0.73 HTT (0.46) PDGFRBPDGFRAPARP1RAB9ACYP2A6
SCHEMBL13544033 0.73 ALDH1A1 (0.46) PDGFRBPDGFRAPARP1CYP2A6KDM4E
SCHEMBL25216279 0.71 PDGFRB (0.47) PDGFRBPDGFRAHPGDSRAB9AMAPK10

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
CN-110267953-A Tetrahydroimidazo [4,5-C ] pyridine derivatives as inducers of PD-L1 internalization 因赛特公司 2019-09-20 CN disclosed
EP-2081922-B1 5,6-Ring annulated indole derivatives and use thereof SCHERING CORP (US) 2012-02-01 EP disclosed