SCHEMBL9524877

SCHEMBL9524877

O=C(Nc1ccccc1)c1nnc2ccccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.56
HIF1A Q16665 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
FLT3 P36888 1/20 0.50
CCNA1 P78396 1/20 0.50
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.47
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATR Q13535 1/20 0.45
LCK P06239 1/20 0.44
MAP2K3 P46734 1/20 0.44
MAP2K6 P52564 1/20 0.44

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
SCHEMBL9523892 0.90 HIF1A (0.53) ADORA3HIF1AHTTL3MBTL1CYP3A4
SCHEMBL9527446 0.88 ADORA3 (0.51) ADORA3RAB9AATRLCKMAP2K3
SCHEMBL9525863 0.88 RAB9A (0.49) ADORA3ELANESMN1; SMN2RAB9AKDM4E
SCHEMBL9524562 0.88 ADORA3 (0.59) ADORA3FLT3HTTCYP3A4SMN1; SMN2
SCHEMBL9524531 0.88 HIF1A (0.54) ADORA3HIF1AHTTUSP2ELANE
SCHEMBL9524412 0.88 ADORA3 (0.54) ADORA3L3MBTL1SMN1; SMN2RAB9AKDM4E
SCHEMBL9525647 0.86 RAB9A (0.56) HIF1ASMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL9523679 0.85 P2RX1 (0.52) ADORA3HTTRAB9AMEN1LMNA
SCHEMBL9527182 0.85 NPC1 (0.52) HTTELANESMN1; SMN2RAB9AKDM4E
SCHEMBL9524794 0.85 ADORA3 (0.48) ADORA3HIF1AELANESMN1; SMN2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US claimed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP claimed
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed