SCHEMBL9525577

SCHEMBL9525577

Nc1ccc2nnc(C(=O)Nc3ccccc3)c(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
ATR Q13535 4/20 0.46
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.41
HIF1A Q16665 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CCNA1 P78396 1/20 0.41
PRKDC P78527 2/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL9524344 0.84 TMPRSS4 (0.51) ADORA3ELANEPOLBKMT2ANPC1
SCHEMBL9524293 0.84 TP53 (0.46) ADORA3ATRELANEPOLBKMT2A
SCHEMBL9525587 0.84 ADORA3 (0.47) ADORA3ELANEPOLBMAPTKMT2A
SCHEMBL9527446 0.84 ADORA3 (0.51) ADORA3ATRPOLBMAPTKMT2A
SCHEMBL9524877 0.83 ADORA3 (0.56) ADORA3ATRELANEPOLBMAPT
SCHEMBL9524794 0.83 ADORA3 (0.48) ADORA3ELANEMAPTALDH1A1HIF1A
SCHEMBL9523697 0.83 GRM5 (0.52) ATRKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9524874 0.82 ADORA3 (0.50) ADORA3POLBMAPTKMT2ANPC1
SCHEMBL9524233 0.81 DHODH (0.54) ADORA3ELANEPOLBMAPTKMT2A
SCHEMBL9524438 0.81 MEN1 (0.50) ADORA3KMT2ALMNAEGFR

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 3 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 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