SCHEMBL9523892

SCHEMBL9523892

O=C(Nc1ccncc1)c1nnc2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.53
TYK2 P29597 3/20 0.50
JAK2 O60674 2/20 0.50
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PRKCI P41743 1/20 0.46
POLB P06746 1/20 0.46
STAT3 P40763 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL9524877 0.90 ADORA3 (0.56) HIF1AHTTKDM4EL3MBTL1CYP3A4
SCHEMBL9525647 0.85 RAB9A (0.56) HIF1AKDM4ECYP2C9NPC1RAB9A
SCHEMBL9527446 0.84 ADORA3 (0.51) TDP1DNMT1RAB9AADORA3PRKCI
SCHEMBL9524412 0.84 ADORA3 (0.54) KDM4ENPSR1L3MBTL1NPC1RAB9A
SCHEMBL9525863 0.84 RAB9A (0.49) KDM4ETDP1NPC1RAB9AADORA3
SCHEMBL9524562 0.84 ADORA3 (0.59) HTTKDM4ECYP3A4NPC1RAB9A
SCHEMBL9524531 0.84 HIF1A (0.54) HIF1AHTTKDM4ENPC1RAB9A
SCHEMBL9527461 0.81 ADORA3 (0.61) HIF1AKDM4ECYP3A4NPC1RAB9A
SCHEMBL9523781 0.81 KCNMA1 (0.54) TYK2JAK2CYP3A4CYP2C9NPC1
SCHEMBL9525148 0.81 FADS1 (0.46) HIF1AHTTKDM4ENPSR1RAB9A

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