SCHEMBL9524656

SCHEMBL9524656

CCCCCCCCCCCCCCCCCCN(C)C(=O)c1nnc2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSP90AA1 P07900 1/20 0.39
HTR7 P34969 1/20 0.38
CSNK2A2 P19784 1/20 0.37
KDR P35968 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL9527775 0.95 CYP1A2 (0.47) CYP1A2GAAHPGDTSHRCSNK2A2
SCHEMBL9525025 0.89 ALDH1A1 (0.44)
SCHEMBL9525627 0.84 LCK (0.40)
SCHEMBL9525682 0.76 NAAA (0.52) GAAHPGDTSHR
SCHEMBL9525892 0.76 NAAA (0.52) GAAHPGDTSHR
SCHEMBL9524674 0.73 KMT2A (0.45) HPGD
SCHEMBL9527401 0.73 TSHR (0.51) HPGDTSHR
SCHEMBL9524895 0.73 ALDH1A1 (0.47) HPGDTSHR
SCHEMBL3094124 0.71 ADORA3 (0.48) CYP1A2GAAHPGDTSHRHSP90AA1
SCHEMBL5178440 0.70 HDAC6 (0.57) GAAHPGD

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